NP-MRD: Showing NP-Card for Cellulose acetate (NP0338456)

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Record Information

Version

2.0

Created at

2024-09-11 15:33:46 UTC

Updated at

2024-09-11 15:33:47 UTC

NP-MRD ID

NP0338456

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cellulose acetate

Description

Cellulose acetate was first documented in 2024 (PMID: 39291885). Based on a literature review a small amount of articles have been published on Cellulose acetate (PMID: 39285814) (PMID: 39281923) (PMID: 39274843) (PMID: 39274826).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262318062D          

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M  END


  Mrv2104 05262318062D          

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M  END
> <DATABASE_ID>
NP0338456

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCC(=O)OCC1OC(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC1OC(COC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC

> <INCHI_IDENTIFIER>
InChI=1/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2

> <INCHI_KEY>
HKQOBOMRSSHSTC-UHFFFAOYNA-N

> <FORMULA>
C76H114O49

> <MOLECULAR_WEIGHT>
1811.699

> <EXACT_MASS>
1810.642870051

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
239

> <JCHEM_AVERAGE_POLARIZABILITY>
79.20860735906999

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol; [4,5,6-tris(acetyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate; [4,5,6-tris(propanoyloxy)-3-{[3,4,5-tris(propanoyloxy)-6-[(propanoyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl propanoate

> <JCHEM_LOGP>
4.429915194999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9167888859617124

> <JCHEM_POLAR_SURFACE_AREA>
238.08999999999995

> <JCHEM_REFRACTIVITY>
178.5639000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
52

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
cellulose acetate propionate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -9.481  -0.882   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.148  -1.652   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.814  -0.882   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -6.814   0.658   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -5.480  -1.652   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.147  -0.882   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.813  -1.652   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.479  -0.882   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.145  -1.652   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.145  -3.192   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.479  -3.962   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.813  -3.192   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -1.479  -5.502   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.813  -6.272   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -4.147  -5.502   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.813  -7.812   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.147  -8.582   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.188  -3.962   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.188  -5.502   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.145  -6.272   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.522  -6.272   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.522  -7.812   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.188  -0.882   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.522  -1.652   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.522  -3.192   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.856  -0.882   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.189  -1.652   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.479   0.658   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -0.145   1.428   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.145   2.968   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.188   3.738   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.522   2.968   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.522   1.428   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       1.188   0.658   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.856   0.658   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.189   1.428   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.523   0.658   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.523  -0.882   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.857   1.428   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.857   2.968   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.856   3.738   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       3.856   5.278   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       5.189   6.048   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.522   6.048   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.522   7.588   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       1.188   5.278   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -0.145   6.048   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -0.145   7.588   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -1.479   5.278   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -2.813   6.048   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -1.479   3.738   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      -2.813   2.968   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -4.147   3.738   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -2.813   1.428   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -4.147   0.658   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      22.706  -0.707   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      22.706   0.833   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      24.040   1.603   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      21.372   1.603   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      20.039   0.833   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      20.039  -0.707   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      18.705  -1.477   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      18.705  -3.017   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      20.039  -3.787   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      21.372  -3.017   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      21.372  -1.477   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      22.706  -3.787   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      22.706  -5.327   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      21.372  -6.097   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0      24.040  -6.097   0.000  0.00  0.00           C+0
HETATM   71  O   UNK     0      20.039  -5.327   0.000  0.00  0.00           O+0
HETATM   72  C   UNK     0      18.705  -6.097   0.000  0.00  0.00           C+0
HETATM   73  O   UNK     0      17.371  -5.327   0.000  0.00  0.00           O+0
HETATM   74  C   UNK     0      18.705  -7.637   0.000  0.00  0.00           C+0
HETATM   75  O   UNK     0      17.371  -3.787   0.000  0.00  0.00           O+0
HETATM   76  C   UNK     0      16.038  -3.017   0.000  0.00  0.00           C+0
HETATM   77  O   UNK     0      16.038  -1.477   0.000  0.00  0.00           O+0
HETATM   78  C   UNK     0      14.704  -3.787   0.000  0.00  0.00           C+0
HETATM   79  O   UNK     0      17.371  -0.707   0.000  0.00  0.00           O+0
HETATM   80  C   UNK     0      17.371   0.833   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      16.038   1.603   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      16.038   3.143   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      17.371   3.913   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      18.705   3.143   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0      18.705   1.603   0.000  0.00  0.00           O+0
HETATM   86  C   UNK     0      20.039   3.913   0.000  0.00  0.00           C+0
HETATM   87  O   UNK     0      21.372   3.143   0.000  0.00  0.00           O+0
HETATM   88  C   UNK     0      22.706   3.913   0.000  0.00  0.00           C+0
HETATM   89  O   UNK     0      24.040   3.143   0.000  0.00  0.00           O+0
HETATM   90  C   UNK     0      22.706   5.453   0.000  0.00  0.00           C+0
HETATM   91  O   UNK     0      17.371   5.453   0.000  0.00  0.00           O+0
HETATM   92  C   UNK     0      16.038   6.223   0.000  0.00  0.00           C+0
HETATM   93  O   UNK     0      14.704   5.453   0.000  0.00  0.00           O+0
HETATM   94  C   UNK     0      16.038   7.763   0.000  0.00  0.00           C+0
HETATM   95  O   UNK     0      14.704   3.913   0.000  0.00  0.00           O+0
HETATM   96  C   UNK     0      13.370   3.143   0.000  0.00  0.00           C+0
HETATM   97  O   UNK     0      13.370   1.603   0.000  0.00  0.00           O+0
HETATM   98  C   UNK     0      12.037   3.913   0.000  0.00  0.00           C+0
HETATM   99  O   UNK     0      14.704   0.833   0.000  0.00  0.00           O+0
HETATM  100  C   UNK     0      14.704  -0.707   0.000  0.00  0.00           C+0
HETATM  101  O   UNK     0      13.370  -1.477   0.000  0.00  0.00           O+0
HETATM  102  C   UNK     0      15.330  -2.114   0.000  0.00  0.00           C+0
HETATM  103  C   UNK     0       2.551 -12.432   0.000  0.00  0.00           C+0
HETATM  104  C   UNK     0       2.551 -13.972   0.000  0.00  0.00           C+0
HETATM  105  C   UNK     0       3.885 -14.742   0.000  0.00  0.00           C+0
HETATM  106  C   UNK     0       3.885 -16.282   0.000  0.00  0.00           C+0
HETATM  107  C   UNK     0       2.551 -17.052   0.000  0.00  0.00           C+0
HETATM  108  C   UNK     0       1.218 -16.282   0.000  0.00  0.00           C+0
HETATM  109  O   UNK     0       1.218 -14.742   0.000  0.00  0.00           O+0
HETATM  110  O   UNK     0      -0.116 -17.052   0.000  0.00  0.00           O+0
HETATM  111  C   UNK     0      -1.450 -16.282   0.000  0.00  0.00           C+0
HETATM  112  C   UNK     0      -2.783 -17.052   0.000  0.00  0.00           C+0
HETATM  113  O   UNK     0      -4.117 -16.282   0.000  0.00  0.00           O+0
HETATM  114  C   UNK     0      -4.117 -14.742   0.000  0.00  0.00           C+0
HETATM  115  C   UNK     0      -2.783 -13.972   0.000  0.00  0.00           C+0
HETATM  116  C   UNK     0      -1.450 -14.742   0.000  0.00  0.00           C+0
HETATM  117  O   UNK     0      -0.116 -13.972   0.000  0.00  0.00           O+0
HETATM  118  O   UNK     0      -2.783 -12.432   0.000  0.00  0.00           O+0
HETATM  119  O   UNK     0      -5.451 -13.972   0.000  0.00  0.00           O+0
HETATM  120  C   UNK     0      -2.783 -18.592   0.000  0.00  0.00           C+0
HETATM  121  O   UNK     0      -4.117 -19.362   0.000  0.00  0.00           O+0
HETATM  122  O   UNK     0       2.551 -18.592   0.000  0.00  0.00           O+0
HETATM  123  O   UNK     0       5.219 -17.052   0.000  0.00  0.00           O+0
HETATM  124  O   UNK     0       5.219 -13.972   0.000  0.00  0.00           O+0
HETATM  125  O   UNK     0       1.218 -11.662   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9   28                                                  
CONECT    9    8   10   23                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11    7                                                       
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16                                                            
CONECT   18   10   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21                                                            
CONECT   23    9   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28    8   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31   51                                                  
CONECT   31   30   32   46                                                  
CONECT   32   31   33   41                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33   29                                                       
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39                                                            
CONECT   41   32   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44                                                            
CONECT   46   31   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49                                                            
CONECT   51   30   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55                                                       
CONECT   55   54                                                            
CONECT   56   57                                                            
CONECT   57   56   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62   66                                                  
CONECT   62   61   63   79                                                  
CONECT   63   62   64   75                                                  
CONECT   64   63   65   71                                                  
CONECT   65   64   66   67                                                  
CONECT   66   65   61                                                       
CONECT   67   65   68                                                       
CONECT   68   67   69   70                                                  
CONECT   69   68                                                            
CONECT   70   68                                                            
CONECT   71   64   72                                                       
CONECT   72   71   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72                                                            
CONECT   75   63   76                                                       
CONECT   76   75   77   78                                                  
CONECT   77   76                                                            
CONECT   78   76                                                            
CONECT   79   62   80                                                       
CONECT   80   79   81   85                                                  
CONECT   81   80   82   99                                                  
CONECT   82   81   83   95                                                  
CONECT   83   82   84   91                                                  
CONECT   84   83   85   86                                                  
CONECT   85   84   80                                                       
CONECT   86   84   87                                                       
CONECT   87   86   88                                                       
CONECT   88   87   89   90                                                  
CONECT   89   88                                                            
CONECT   90   88                                                            
CONECT   91   83   92                                                       
CONECT   92   91   93   94                                                  
CONECT   93   92                                                            
CONECT   94   92                                                            
CONECT   95   82   96                                                       
CONECT   96   95   97   98                                                  
CONECT   97   96                                                            
CONECT   98   96                                                            
CONECT   99   81  100                                                       
CONECT  100   99  101  102                                                  
CONECT  101  100                                                            
CONECT  102  100                                                            
CONECT  103  104  125                                                       
CONECT  104  103  105  109                                                  
CONECT  105  104  106  124                                                  
CONECT  106  105  107  123                                                  
CONECT  107  106  108  122                                                  
CONECT  108  107  109  110                                                  
CONECT  109  108  104                                                       
CONECT  110  108  111                                                       
CONECT  111  110  112  116                                                  
CONECT  112  111  113  120                                                  
CONECT  113  112  114                                                       
CONECT  114  113  115  119                                                  
CONECT  115  114  116  118                                                  
CONECT  116  115  111  117                                                  
CONECT  117  116                                                            
CONECT  118  115                                                            
CONECT  119  114                                                            
CONECT  120  112  121                                                       
CONECT  121  120                                                            
CONECT  122  107                                                            
CONECT  123  106                                                            
CONECT  124  105                                                            
CONECT  125  103                                                            
MASTER        0    0    0    0    0    0    0    0  125    0  256    0
END

View in JSmol

Synonyms

Value	Source
Cellulose acetic acid	Generator

Chemical Formula

C₇₆H₁₁₄O₄₉

Average Mass

1811.6990 Da

Monoisotopic Mass

1810.64287 Da

IUPAC Name

2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol; [4,5,6-tris(acetyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate; [4,5,6-tris(propanoyloxy)-3-{[3,4,5-tris(propanoyloxy)-6-[(propanoyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl propanoate

Traditional Name

cellulose acetate propionate

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCC(=O)OCC1OC(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC1OC(COC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC

InChI Identifier

InChI=1/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2

InChI Key

HKQOBOMRSSHSTC-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.43	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	238.09 Å²	ChemAxon
Rotatable Bond Count	52	ChemAxon
Refractivity	178.56 m³·mol⁻¹	ChemAxon
Polarizability	79.21 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cellulose acetate

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kudla YM, Ijzerman MM, Bennett CJ, Gillis PL, Kidd KA, Prosser RS: Quantifying Effects and Ingestion of Several Pristine Microplastics in Two Early Life Stages of Freshwater Mussels. Environ Toxicol Chem. 2024 Sep 18. doi: 10.1002/etc.5993. [PubMed:39291885 ]
Mariani S, Cikalleshi K, Ronzan M, Filippeschi C, Naselli GA, Mazzolai B: A Biodegradable, Porous Flier Inspired by a Parachute-Like Tragopogon Fruit for Environmental Preservation. Small. 2024 Sep 17:e2403582. doi: 10.1002/smll.202403582. [PubMed:39285814 ]
Manamela L, Nombona N: Cellulose Acetate Supported MOF-5/Crystalline Nanocellulose Composite Film as an Adsorbent Material for Methylene Blue Removal from Aqueous Solutions. ACS Omega. 2024 Aug 27;9(36):37621-37635. doi: 10.1021/acsomega.4c01150. eCollection 2024 Sep 10. [PubMed:39281923 ]
Kadac-Czapska K, Bochentyn B, Maslarz A, Mahlik S, Grembecka M: Methodology Approach for Microplastics Isolation from Samples Containing Sucrose. Molecules. 2024 Aug 23;29(17):3996. doi: 10.3390/molecules29173996. [PubMed:39274843 ]
Albu PC, Pirtac A, Motelica L, Nechifor AC, Man GT, Grosu AR, Tanczos SK, Grosu VA, Nechifor G: Reduction in Olfactory Discomfort in Inhabited Premises from Areas with Mofettas through Cellulosic Derivative-Polypropylene Hollow Fiber Composite Membranes. Materials (Basel). 2024 Sep 9;17(17):4437. doi: 10.3390/ma17174437. [PubMed:39274826 ]

Showing NP-Card for Cellulose acetate (NP0338456)

MOL for NP0338456 (Cellulose acetate)

3D MOL for NP0338456 (Cellulose acetate)

3D SDF for NP0338456 (Cellulose acetate)

3D-SDF for NP0338456 (Cellulose acetate)

PDB for NP0338456 (Cellulose acetate)

3D PDB for NP0338456 (Cellulose acetate)

SMILES for NP0338456 (Cellulose acetate)

INCHI for NP0338456 (Cellulose acetate)

Structure for NP0338456 (Cellulose acetate)

3D Structure for NP0338456 (Cellulose acetate)