ChemSpider 2D Image | (3beta)-28-Hydroxy-28-oxoolean-13(18)-en-3-yl 3-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronic acid | C41H64O13

(3β)-28-Hydroxy-28-oxoolean-13(18)-en-3-yl 3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID154463

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β)-28-Hydroxy-28-oxoolean-13(18)-en-3-yl 3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-28-Hydroxy-28-oxoolean-13(18)-en-3-yl-3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronique de (3β)-28-hydroxy-28-oxooléan-13(18)-én-3-yle [French] [ACD/IUPAC Name]
Olean-13(18)-en-28-oic acid, 3-[(3-O-β-D-xylopyranosyl-β-D-glucopyranuronosyl)oxy]-, (3β)- [ACD/Index Name]
195971-48-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 885.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 262.7±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 194.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 9.95
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 102.16
ACD/KOC (pH 5.5): 82.93
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 10.00
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 213 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 564.8±5.0 cm3

Click to predict properties on the Chemicalize site


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