NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid (NP0179802)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-03 18:02:37 UTC

Updated at

2022-09-03 18:02:37 UTC

NP-MRD ID

NP0179802

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

Description

Benzyl 6-O-sulfo-beta-D-glucopyranoside 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. [(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid is found in Dillenia philippinensis. Based on a literature review very few articles have been published on Benzyl 6-O-sulfo-beta-D-glucopyranoside.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.2028    3.7929    1.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226    2.6623    0.3296 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3049    2.8944    0.2668 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    2.8015   -1.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    1.2276    1.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5053    0.1411    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005   -1.1270    0.9334 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8353   -1.0724    1.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851   -1.3621    0.5699 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8588   -0.1735    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1462   -0.1369    0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    1.1636    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115    1.3309   -0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9580    2.5387   -1.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436    3.6372   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685    3.4978    0.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403    2.2744    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -2.1482   -0.6506 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9645   -2.8973   -1.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412   -3.1445   -0.2760 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5624   -3.9387   -1.3686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -2.3431    0.1361 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3240   -3.2029    0.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471    2.6062   -1.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934    0.3045   -0.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    0.0349   -0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904   -1.1303    1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351   -1.9765    1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2317   -0.2231    1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286   -0.9322    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101    0.4876   -1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4938    2.6956   -2.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2487    4.6035   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610    4.3291    1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    2.1310    2.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.5326   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9494   -3.1080   -1.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022   -3.7178    0.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011   -4.8727   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -2.0506   -0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585   -4.0643    0.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 22  1  0
 22 23  1  0
 22  7  1  0
  7  6  1  0
  6  5  1  0
  5  2  1  0
  2  4  1  0
  2  1  2  0
  2  3  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  9 18  1  0
 18 19  1  0
 18 20  1  0
 17 12  1  0
 21 39  1  0
 20 38  1  1
 22 40  1  6
 23 41  1  0
  7 27  1  1
  6 25  1  0
  6 26  1  0
  4 24  1  0
  9 28  1  1
 11 29  1  0
 11 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  6
 19 37  1  0
M  END


  Mrv1652309032220022D          

 23 24  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0179802

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](OCC2=CC=CC=C2)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C13H18O9S/c14-10-9(7-21-23(17,18)19)22-13(12(16)11(10)15)20-6-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2,(H,17,18,19)/t9-,10-,11+,12-,13-/m1/s1

> <INCHI_KEY>
HOTBDGGBINCUOA-UJPOAAIJSA-N

> <FORMULA>
C13H18O9S

> <MOLECULAR_WEIGHT>
350.34

> <EXACT_MASS>
350.067153334

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.908904585332145

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid

> <JCHEM_LOGP>
-2.3080751962276738

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.21202386406525

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.9208740854398458

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6501069959216874

> <JCHEM_POLAR_SURFACE_AREA>
142.75000000000003

> <JCHEM_REFRACTIVITY>
75.27900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  O   UNK     0       1.334   0.770   0.000  0.00  0.00           O+0
HETATM    2  S   UNK     0       1.334  -0.770   0.000  0.00  0.00           S+0
HETATM    3  O   UNK     0      -0.206  -0.770   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       2.874  -0.770   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   22                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   18                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18    9   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    7   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
Benzyl 6-O-sulfO-b-D-glucopyranoside	Generator
Benzyl 6-O-sulfO-β-D-glucopyranoside	Generator
Benzyl 6-O-sulphO-b-D-glucopyranoside	Generator
Benzyl 6-O-sulphO-beta-D-glucopyranoside	Generator
Benzyl 6-O-sulphO-β-D-glucopyranoside	Generator

Chemical Formula

C₁₃H₁₈O₉S

Average Mass

350.3400 Da

Monoisotopic Mass

350.06715 Da

IUPAC Name

{[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid

Traditional Name

[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

CAS Registry Number

Not Available

SMILES

O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](OCC2=CC=CC=C2)[C@@H]1O

InChI Identifier

InChI=1S/C13H18O9S/c14-10-9(7-21-23(17,18)19)22-13(12(16)11(10)15)20-6-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2,(H,17,18,19)/t9-,10-,11+,12-,13-/m1/s1

InChI Key

HOTBDGGBINCUOA-UJPOAAIJSA-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

Species Name	Source	Reference
Dillenia philippinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

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

Hexose monosaccharide
O-glycosyl compound
Monosaccharide sulfate
Monocyclic benzene moiety
Monosaccharide
Oxane
Sulfuric acid monoester
Sulfate-ester
Alkyl sulfate
Sulfuric acid ester
Benzenoid
Organic sulfuric acid or derivatives
Secondary alcohol
Polyol
Acetal
Oxacycle
Organoheterocyclic compound
Organic oxide
Alcohol
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	-2.3	ChemAxon
pKa (Strongest Acidic)	-1.9	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	142.75 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	75.28 m³·mol⁻¹	ChemAxon
Polarizability	32.91 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

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

14581504

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid (NP0179802)

MOL for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

3D MOL for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

3D SDF for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

3D-SDF for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

PDB for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

3D PDB for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

SMILES for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

INCHI for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

Structure for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)

3D Structure for NP0179802 ([(2r,3s,4s,5r,6r)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid)