ChemSpider 2D Image | 3-O-beta-D-Xylopyranosyl-beta-D-glucopyranuronic acid | C11H18O11

3-O-β-D-Xylopyranosyl-β-D-glucopyranuronic acid

  • Molecular FormulaC11H18O11
  • Average mass326.254 Da
  • Monoisotopic mass326.084900 Da
  • ChemSpider ID88294582

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-O-β-D-Xylopyranosyl-β-D-glucopyranuronic acid [ACD/IUPAC Name]
3-O-β-D-Xylopyranosyl-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 3-O-β-D-xylopyranosyl-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 3-O-β-D-xylopyranosyl- [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
missing
Xyl(b1-3)b-GlcA
β-D-xylo-pentopyranosyl-(1->3)-β-D-gluco-hexopyranuronic acid
  • Miscellaneous

    • Chemical Class:

      A glycosylglucopyranuronic acid consisting of beta-D-xylosyl and beta-D-glucuronic acid residues joined by a (1->3) glycosidic linkage. ChEBI CHEBI:149024

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

Density: 1.9±0.1 g/cm3
Boiling Point: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 268.6±26.4 °C
Index of Refraction: 1.656
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 115.8±5.0 dyne/cm
Molar Volume: 176.4±5.0 cm3

Click to predict properties on the Chemicalize site


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