ChemSpider 2D Image | 3-O-beta-D-glucosyl-D-glucuronic acid | C12H20O12

3-O-β-D-glucosyl-D-glucuronic acid

  • Molecular FormulaC12H20O12
  • Average mass356.280 Da
  • Monoisotopic mass356.095490 Da
  • ChemSpider ID30786130

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-O-β-D-Glucopyranosyl-D-glucuronic acid [ACD/IUPAC Name]
3-O-β-D-Glucopyranosyl-D-glucuronsäure [German] [ACD/IUPAC Name]
3-O-β-D-glucosyl-D-glucuronic acid
Acide 3-O-β-D-glucopyranosyl-D-glucuronique [French] [ACD/IUPAC Name]
D-Glucuronic acid, 3-O-β-D-glucopyranosyl- [ACD/Index Name]
β-D-glucopyranosyl-(1->3)-D-glucuronic acid
β-D-glucosyl-(1->;3)-D-glucuronic acid
  • Miscellaneous

    • Chemical Class:

      A disaccharide consisting <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl and <stereo>D</stereo>-glucuronic acid residues joined by a (1<arrow>right</arrow>3)-linkage. ChEBI CHEBI:77025
      A disaccharide consisting beta-D-glucosyl and D-glucuronic acid residues joined by a (1->3)-linkage. ChEBI CHEBI:77025
      A disaccharide consisting beta-D-glucosyl and D-glucuronic acid residues joined by a (1right3)-linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77025

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

Density: 1.8±0.1 g/cm3
Boiling Point: 861.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.2±6.0 kJ/mol
Flash Point: 318.9±27.8 °C
Index of Refraction: 1.636
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 114.8±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

Click to predict properties on the Chemicalize site


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