ChemSpider 2D Image | (3alpha)-29-Hydroxy-11,29-dioxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid | C36H54O10

(3α)-29-Hydroxy-11,29-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID84393806

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3α)-29-Hydroxy-11,29-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α)-29-Hydroxy-11,29-dioxoolean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3α)-29-hydroxy-11,29-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-(β-D-glucopyranuronosyloxy)-11-oxo-, (3α)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[[(3R,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
34096-83-8 [RN]
Glycyrrhetic acid 3-O-??-D-glucuronide
Glycyrrhetic acid 3-O-mono-β-D-glucuronide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 240.7±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 167.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 492.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement