NP-MRD: Showing NP-Card for [(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate (NP0297652)

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Record Information

Version

2.0

Created at

2022-09-10 08:11:39 UTC

Updated at

2022-09-10 08:11:39 UTC

NP-MRD ID

NP0297652

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

Description

[(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate was first documented in 1994 (PMID: 7764992).

Structure

MOL 3D MOL SDF PDB SMILES InChI

      44263853
  Mrv1652301111800302D          

 47 48  0  0  1  0            999 V2000
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  3 45  1  0  0  0  0
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 45 47  2  0  0  0  0
M  END

     RDKit          3D

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M  END

      44263853
  Mrv1652301111800302D          

 47 48  0  0  1  0            999 V2000
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    8.0803    0.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -4.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026   -4.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -4.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.3276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9369   -0.7401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6514   -0.3276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2224    0.4974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6514    0.4974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5079   -1.5651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7935   -1.9776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7935   -2.8026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5079   -3.2151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2224   -2.8026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5079    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -1.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901   -4.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -2.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2598   -5.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -5.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0803    2.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
 19  2  1  6  0  0  0
 24  2  1  6  0  0  0
 23  3  1  1  0  0  0
  4 24  1  0  0  0  0
  4 28  1  0  0  0  0
 20  5  1  1  0  0  0
  5 31  1  0  0  0  0
 21  6  1  6  0  0  0
  6 32  1  0  0  0  0
 25  7  1  1  0  0  0
  7 33  1  0  0  0  0
 26  8  1  6  0  0  0
  8 34  1  0  0  0  0
 27  9  1  1  0  0  0
  9 35  1  0  0  0  0
 10 29  1  0  0  0  0
 10 37  1  0  0  0  0
 11 30  1  0  0  0  0
 11 41  1  0  0  0  0
 12 31  2  0  0  0  0
 13 32  2  0  0  0  0
 14 33  2  0  0  0  0
 15 34  2  0  0  0  0
 16 35  2  0  0  0  0
 17 37  2  0  0  0  0
 18 41  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 29  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  6  0  0  0
 31 36  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 42  1  0  0  0  0
 37 43  1  0  0  0  0
 41 44  1  0  0  0  0
  3 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0297652

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H38O19/c1-11(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/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1

> <INCHI_KEY>
WOTQVEKSRLZRSX-HYSGBLIFSA-N

> <FORMULA>
C28H38O19

> <MOLECULAR_WEIGHT>
678.593

> <EXACT_MASS>
678.200729004

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
63.989659338270386

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6S)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
-1.1743715810000008

> <ALOGPS_LOGS>
-3.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9166490882536507

> <JCHEM_POLAR_SURFACE_AREA>
238.08999999999997

> <JCHEM_REFRACTIVITY>
141.54870000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.38e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6S)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-JAN-18   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:       44263853                                    
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-JAN-18         0                                  
HETATM    1  O   UNK     0      11.082   1.698   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       8.415  -1.382   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      13.750   1.698   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       9.748  -3.692   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      11.082  -2.922   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      13.750  -1.382   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.747  -2.922   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       5.747  -6.002   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       8.415  -7.542   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       7.081   0.928   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      11.082  -7.542   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      13.750  -2.922   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      15.083   0.928   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.414  -5.232   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       7.081  -8.312   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      10.458  -9.256   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.747   3.238   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      13.750  -7.542   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.748  -0.612   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.082  -1.382   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.416  -0.612   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.748   0.928   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.416   0.928   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.415  -2.922   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.081  -3.692   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.081  -5.232   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.415  -6.002   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.748  -5.232   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.415   1.698   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.082  -6.002   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.416  -3.692   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.083  -0.612   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.414  -3.692   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.747  -7.542   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.942  -8.989   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      12.416  -5.232   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.747   1.698   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.417  -1.382   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.080  -2.922   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.414  -8.312   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      12.416  -8.312   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.952 -10.169   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       4.414   0.928   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.416  -9.852   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      13.750   3.238   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      12.416   4.008   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      15.083   4.008   0.000  0.00  0.00           O+0
CONECT    1   22   23                                                       
CONECT    2   19   24                                                       
CONECT    3   23   45                                                       
CONECT    4   24   28                                                       
CONECT    5   20   31                                                       
CONECT    6   21   32                                                       
CONECT    7   25   33                                                       
CONECT    8   26   34                                                       
CONECT    9   27   35                                                       
CONECT   10   29   37                                                       
CONECT   11   30   41                                                       
CONECT   12   31                                                            
CONECT   13   32                                                            
CONECT   14   33                                                            
CONECT   15   34                                                            
CONECT   16   35                                                            
CONECT   17   37                                                            
CONECT   18   41                                                            
CONECT   19    2   20   22                                                  
CONECT   20    5   19   21                                                  
CONECT   21    6   20   23                                                  
CONECT   22    1   19   29                                                  
CONECT   23    1    3   21                                                  
CONECT   24    2    4   25                                                  
CONECT   25    7   24   26                                                  
CONECT   26    8   25   27                                                  
CONECT   27    9   26   28                                                  
CONECT   28    4   27   30                                                  
CONECT   29   10   22                                                       
CONECT   30   11   28                                                       
CONECT   31    5   12   36                                                  
CONECT   32    6   13   38                                                  
CONECT   33    7   14   39                                                  
CONECT   34    8   15   40                                                  
CONECT   35    9   16   42                                                  
CONECT   36   31                                                            
CONECT   37   10   17   43                                                  
CONECT   38   32                                                            
CONECT   39   33                                                            
CONECT   40   34                                                            
CONECT   41   11   18   44                                                  
CONECT   42   35                                                            
CONECT   43   37                                                            
CONECT   44   41                                                            
CONECT   45    3   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45                                                            
MASTER        0    0    0    0    0    0    0    0   47    0   96    0
END

View in JSmol

Synonyms

Value	Source
D-Cellobiose octaacetic acid	Generator
Cellobiose octaacetate	MeSH

Chemical Formula

C₂₈H₃₈O₁₉

Average Mass

678.5930 Da

Monoisotopic Mass

678.20073 Da

IUPAC Name

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6S)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

Traditional Name

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6S)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

InChI Identifier

InChI=1S/C28H38O19/c1-11(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/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1

InChI Key

WOTQVEKSRLZRSX-HYSGBLIFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic oxide
Hydrocarbon derivative
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

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	0.71	ALOGPS
logP	-1.2	ChemAxon
logS	-3.1	ALOGPS
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	20	ChemAxon
Refractivity	141.55 m³·mol⁻¹	ChemAxon
Polarizability	63.99 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

96681

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

107429

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Goggin KD, Hammen PD, Knutson KL, Lambert JF, Walinsky SW, Watson HA Jr: Commercial synthesis of alpha-D-cellobiosyl bromide heptaacetate. J Chem Technol Biotechnol. 1994 Jul;60(3):253-6. doi: 10.1002/jctb.280600305. [PubMed:7764992 ]
LOTUS database [Link]

Showing NP-Card for [(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate (NP0297652)

MOL for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

3D MOL for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

3D SDF for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

3D-SDF for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

PDB for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

3D PDB for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

SMILES for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

INCHI for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

Structure for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)

3D Structure for NP0297652 ([(2r,3r,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[(2r,3r,4s,5r,6s)-4,5,6-tris(acetyloxy)-2-[(acetyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methyl acetate)