ChemSpider 2D Image | 3-O-Sulfo-beta-D-glucopyranose | C6H12O9S

3-O-Sulfo-β-D-glucopyranose

  • Molecular FormulaC6H12O9S
  • Average mass260.219 Da
  • Monoisotopic mass260.020203 Da
  • ChemSpider ID88294729

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-O-Sulfo-β-D-glucopyranose [German] [ACD/IUPAC Name]
3-O-Sulfo-β-D-glucopyranose [ACD/IUPAC Name]
3-O-Sulfo-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 3-(hydrogen sulfate) [ACD/Index Name]
[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
3-O-sulfo-β-D-gluco-hexopyranose
WURCS=2.0/1,1,0/[a2122h-1b1-53*OSO/3=O/3=O]/1/
  • Miscellaneous

    • Chemical Class:

      A monosaccharide sulfate that is beta-D-glucopyranose in which the hydroxy group at position 3 has been converted into the corresponding hydrogen sulfate derivative. ChEBI CHEBI:153023

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 47.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -5.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 116.2±5.0 dyne/cm
Molar Volume: 132.8±5.0 cm3

Click to predict properties on the Chemicalize site


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