ChemSpider 2D Image | (3beta)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid | C36H54O10

(3β)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID10228927

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3β)-28-hydroxy-23,28-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(β-D-glucopyranuronosyloxy)-23-oxo-, (3β)- [ACD/Index Name]
105762-16-1 [RN]
96553-02-5 [RN]
GYPSOGENIN-3-GLUCORONIDE
GYPSOGENIN-3-O-GLUCURONIDE
MFCD00270376

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

Density: 1.3±0.1 g/cm3
Boiling Point: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 238.1±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 167.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 492.7±5.0 cm3

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