ChemSpider 2D Image | (3beta)-30-Hydroxyoleana-11,13(18)-dien-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid | C42H64O14

(3β)-30-Hydroxyoleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid

  • Molecular FormulaC42H64O14
  • Average mass792.949 Da
  • Monoisotopic mass792.429626 Da
  • ChemSpider ID9896650

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β)-30-Hydroxyoleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-30-Hydroxyoleana-11,13(18)-dien-3-yl-2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronique de (3β)-30-hydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranosiduronic acid, (3β)-30-hydroxyoleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 918.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.5±6.0 kJ/mol
Flash Point: 271.5±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 571.8±5.0 cm3

Click to predict properties on the Chemicalize site


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