NP-MRD: Showing NP-Card for Carrageenan and salts of carrageenan (NP0338561)

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Record Information

Version

2.0

Created at

2024-09-11 16:03:35 UTC

Updated at

2024-09-11 16:03:36 UTC

NP-MRD ID

NP0338561

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Carrageenan and salts of carrageenan

Description

Carrageenan and salts of carrageenan belongs to the class of organic compounds known as disaccharide sulfates. These are disaccharides carrying one or more sulfate group on a sugar unit. Carrageenan and salts of carrageenan is an extremely weak basic (essentially neutral) compound (based on its pKa). Carrageenan and salts of carrageenan is a potentially toxic compound.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241221332D          

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M  END


  Mrv0541 02241221332D          

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M  END
> <DATABASE_ID>
NP0338561

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(O)C(OC2C3CO[C@@H]2C(O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(OC2C3CO[C@@H]2C(OS(O)(=O)=O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(CO)OC(OC2C(O)C(OS(O)(=O)=O)C(C)OC2COS(O)(=O)=O)C1OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H26O19S3.C14H24O15S2.C14H24O12S/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14;1-5-9(28-30(17,18)19)13-10(7(25-5)4-24-13)27-14-8(16)12(23-2)11(6(3-15)26-14)29-31(20,21)22;1-5-8(16)13-10(7(23-5)4-22-13)25-14-9(17)12(21-2)11(6(3-15)24-14)26-27(18,19)20/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);5-16H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22);5-17H,3-4H2,1-2H3,(H,18,19,20)/t;2*5?,6?,7?,8?,9?,10?,11?,12?,13-,14?/m.11/s1

> <INCHI_KEY>
DFXMOGHSMPQFMY-NEUCQFCTSA-N

> <FORMULA>
C42H74O46S6

> <MOLECULAR_WEIGHT>
1507.399

> <EXACT_MASS>
1506.17754912

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
50.62269713810174

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5-hydroxy-2-{[4-hydroxy-6-methyl-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; (5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; [(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid

> <JCHEM_LOGP>
-8.948553916462568

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
-2.140359448804329

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.6387077019165854

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981091171681501

> <JCHEM_POLAR_SURFACE_AREA>
288.40999999999997

> <JCHEM_REFRACTIVITY>
106.45219999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5-hydroxy-2-{[4-hydroxy-6-methyl-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; (5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; [(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       6.432  -4.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.664  -2.746   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.406  -1.220   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.672  -1.249   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.625  -0.428   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.886  -1.946   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.700  -1.946   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.916  -3.275   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.074  -2.572   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.837   0.895   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.297   0.873   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.454  -0.472   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.994  -0.493   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.783   0.829   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.032   2.174   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.492   2.196   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.821   3.496   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.070   4.841   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.323   0.807   0.000  0.00  0.00           O+0
HETATM   20  S   UNK     0      -5.112   2.130   0.000  0.00  0.00           S+0
HETATM   21  O   UNK     0      -3.789   2.919   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -6.434   1.341   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -5.901   3.453   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.745  -1.838   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -4.285  -1.860   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.335  -1.794   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       6.390  -0.035   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      23.039  -4.034   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      22.270  -2.699   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      22.012  -1.173   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      20.279  -1.202   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.232  -0.381   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      19.493  -1.899   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      21.307  -1.899   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      18.522  -3.229   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      19.680  -2.525   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      18.443   0.941   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      16.903   0.920   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      16.152  -0.425   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.613  -0.447   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      13.824   0.876   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      14.575   2.220   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      16.115   2.242   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      13.786   3.543   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      14.537   4.887   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      12.284   0.854   0.000  0.00  0.00           O+0
HETATM   47  S   UNK     0      11.495   2.177   0.000  0.00  0.00           S+0
HETATM   48  O   UNK     0      12.818   2.965   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      10.172   1.388   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      10.706   3.499   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      13.862  -1.791   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      12.322  -1.813   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      16.941  -1.748   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      22.997   0.011   0.000  0.00  0.00           O+0
HETATM   55  S   UNK     0      24.514  -0.249   0.000  0.00  0.00           S+0
HETATM   56  O   UNK     0      24.254  -1.767   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      24.775   1.269   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      26.032  -0.509   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       1.074  -7.160   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       1.074  -8.700   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       2.408  -9.470   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       2.408 -11.010   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       1.074 -11.780   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -0.259 -11.010   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      -0.259  -9.470   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      -1.593 -11.780   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      -2.927 -11.010   0.000  0.00  0.00           O+0
HETATM   68  S   UNK     0      -2.927  -9.470   0.000  0.00  0.00           S+0
HETATM   69  O   UNK     0      -1.387  -9.470   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      -4.467  -9.470   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      -2.927  -7.930   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0       1.074 -13.320   0.000  0.00  0.00           O+0
HETATM   73  C   UNK     0      -0.259 -14.090   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      -0.259 -15.630   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      -1.593 -16.400   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      -2.927 -15.630   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      -2.927 -14.090   0.000  0.00  0.00           C+0
HETATM   78  O   UNK     0      -1.593 -13.320   0.000  0.00  0.00           O+0
HETATM   79  C   UNK     0      -4.260 -13.320   0.000  0.00  0.00           C+0
HETATM   80  O   UNK     0      -4.260 -11.780   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0      -4.260 -16.400   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      -1.593 -17.940   0.000  0.00  0.00           O+0
HETATM   83  C   UNK     0      -2.927 -18.710   0.000  0.00  0.00           C+0
HETATM   84  O   UNK     0       1.074 -16.400   0.000  0.00  0.00           O+0
HETATM   85  S   UNK     0       1.074 -17.940   0.000  0.00  0.00           S+0
HETATM   86  O   UNK     0      -0.466 -17.940   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0       2.614 -17.940   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0       1.074 -19.480   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0       3.742 -11.780   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0       3.742  -8.700   0.000  0.00  0.00           O+0
HETATM   91  S   UNK     0       5.075  -9.470   0.000  0.00  0.00           S+0
HETATM   92  O   UNK     0       4.305 -10.804   0.000  0.00  0.00           O+0
HETATM   93  O   UNK     0       5.845  -8.137   0.000  0.00  0.00           O+0
HETATM   94  O   UNK     0       6.409 -10.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4   27                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    2                                                       
CONECT    8    6    9                                                       
CONECT    9    8    4                                                       
CONECT   10    5   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13   26                                                  
CONECT   13   12   14   24                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15   11                                                       
CONECT   17   15   18                                                       
CONECT   18   17                                                            
CONECT   19   14   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20                                                            
CONECT   24   13   25                                                       
CONECT   25   24                                                            
CONECT   26   12                                                            
CONECT   27    3                                                            
CONECT   28   29                                                            
CONECT   29   28   30   34                                                  
CONECT   30   29   31   54                                                  
CONECT   31   30   32   36                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33   29                                                       
CONECT   35   33   36                                                       
CONECT   36   35   31                                                       
CONECT   37   32   38                                                       
CONECT   38   37   39   43                                                  
CONECT   39   38   40   53                                                  
CONECT   40   39   41   51                                                  
CONECT   41   40   42   46                                                  
CONECT   42   41   43   44                                                  
CONECT   43   42   38                                                       
CONECT   44   42   45                                                       
CONECT   45   44                                                            
CONECT   46   41   47                                                       
CONECT   47   46   48   49   50                                             
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   47                                                            
CONECT   51   40   52                                                       
CONECT   52   51                                                            
CONECT   53   39                                                            
CONECT   54   30   55                                                       
CONECT   55   54   56   57   58                                             
CONECT   56   55                                                            
CONECT   57   55                                                            
CONECT   58   55                                                            
CONECT   59   60                                                            
CONECT   60   59   61   65                                                  
CONECT   61   60   62   90                                                  
CONECT   62   61   63   89                                                  
CONECT   63   62   64   72                                                  
CONECT   64   63   65   66                                                  
CONECT   65   64   60                                                       
CONECT   66   64   67                                                       
CONECT   67   66   68                                                       
CONECT   68   67   69   70   71                                             
CONECT   69   68                                                            
CONECT   70   68                                                            
CONECT   71   68                                                            
CONECT   72   63   73                                                       
CONECT   73   72   74   78                                                  
CONECT   74   73   75   84                                                  
CONECT   75   74   76   82                                                  
CONECT   76   75   77   81                                                  
CONECT   77   76   78   79                                                  
CONECT   78   77   73                                                       
CONECT   79   77   80                                                       
CONECT   80   79                                                            
CONECT   81   76                                                            
CONECT   82   75   83                                                       
CONECT   83   82                                                            
CONECT   84   74   85                                                       
CONECT   85   84   86   87   88                                             
CONECT   86   85                                                            
CONECT   87   85                                                            
CONECT   88   85                                                            
CONECT   89   62                                                            
CONECT   90   61   91                                                       
CONECT   91   90   92   93   94                                             
CONECT   92   91                                                            
CONECT   93   91                                                            
CONECT   94   91                                                            
MASTER        0    0    0    0    0    0    0    0   94    0  198    0
END

View in JSmol

Synonyms

Value	Source
Carrageenan/carrageenan salt	HMDB
(4-Hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(sulfooxy)oxan-2-yl]oxy}-2-methyl-6-[(sulfooxy)methyl]oxan-3-yl)oxidanesulfonate
(5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonate
[(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonate
(4-Hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(sulphooxy)oxan-2-yl]oxy}-2-methyl-6-[(sulphooxy)methyl]oxan-3-yl)oxidanesulphonate
(5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulphonate
[(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulphooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulphonate
(4-Hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(sulphooxy)oxan-2-yl]oxy}-2-methyl-6-[(sulphooxy)methyl]oxan-3-yl)oxidanesulphonic acid
(5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulphonic acid
[(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulphooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulphonic acid

Chemical Formula

C₄₂H₇₄O₄₆S₆

Average Mass

1507.3990 Da

Monoisotopic Mass

1506.17755 Da

IUPAC Name

(5-hydroxy-2-{[4-hydroxy-6-methyl-5-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; (5-hydroxy-6-{[(5R)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxidanesulfonic acid; [(5S)-8-{[3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(sulfooxy)oxan-2-yl]oxy}-3-methyl-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1C(O)C(OC2C3CO[C@@H]2C(O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(OC2C3CO[C@@H]2C(OS(O)(=O)=O)C(C)O3)OC(CO)C1OS(O)(=O)=O.COC1C(O)C(CO)OC(OC2C(O)C(OS(O)(=O)=O)C(C)OC2COS(O)(=O)=O)C1OS(O)(=O)=O

InChI Identifier

InChI=1S/C14H26O19S3.C14H24O15S2.C14H24O12S/c1-5-10(32-35(21,22)23)9(17)11(7(29-5)4-28-34(18,19)20)31-14-13(33-36(24,25)26)12(27-2)8(16)6(3-15)30-14;1-5-9(28-30(17,18)19)13-10(7(25-5)4-24-13)27-14-8(16)12(23-2)11(6(3-15)26-14)29-31(20,21)22;1-5-8(16)13-10(7(23-5)4-22-13)25-14-9(17)12(21-2)11(6(3-15)24-14)26-27(18,19)20/h5-17H,3-4H2,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);5-16H,3-4H2,1-2H3,(H,17,18,19)(H,20,21,22);5-17H,3-4H2,1-2H3,(H,18,19,20)/t;2*5?,6?,7?,8?,9?,10?,11?,12?,13-,14?/m.11/s1

InChI Key

DFXMOGHSMPQFMY-NEUCQFCTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as disaccharide sulfates. These are disaccharides carrying one or more sulfate group on a sugar unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Disaccharide sulfates

Alternative Parents

Substituents

Disaccharide sulfate
Glycosyl compound
O-glycosyl compound
1,4-dioxepane
Dioxepane
Alkyl sulfate
Sulfuric acid ester
Oxane
Sulfate-ester
Sulfuric acid monoester
Organic sulfuric acid or derivatives
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Acetal
Dialkyl ether
Hydrocarbon derivative
Organic oxide
Alcohol
Primary alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

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	-8.9	ChemAxon
pKa (Strongest Acidic)	-2.6	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	288.41 Å²	ChemAxon
Rotatable Bond Count	25	ChemAxon
Refractivity	106.45 m³·mol⁻¹	ChemAxon
Polarizability	50.62 Å³	ChemAxon
Number of Rings	8	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

HMDB0032195

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB009101

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6850766

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Carrageenan and salts of carrageenan (NP0338561)

MOL for NP0338561 (Carrageenan and salts of carrageenan)

3D MOL for NP0338561 (Carrageenan and salts of carrageenan)

3D SDF for NP0338561 (Carrageenan and salts of carrageenan)

3D-SDF for NP0338561 (Carrageenan and salts of carrageenan)

PDB for NP0338561 (Carrageenan and salts of carrageenan)

3D PDB for NP0338561 (Carrageenan and salts of carrageenan)

SMILES for NP0338561 (Carrageenan and salts of carrageenan)

INCHI for NP0338561 (Carrageenan and salts of carrageenan)

Structure for NP0338561 (Carrageenan and salts of carrageenan)

3D Structure for NP0338561 (Carrageenan and salts of carrageenan)