ChemSpider 2D Image | (3beta,18alpha)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 6-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside | C42H64O15

(3β,18α)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 6-O-β-D-glucopyranuronosyl-β-D-glucopyranoside

  • Molecular FormulaC42H64O15
  • Average mass808.949 Da
  • Monoisotopic mass808.424500 Da
  • ChemSpider ID8923286

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,18α)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 6-O-β-D-glucopyranuronosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,18α)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl-6-O-β-D-glucopyranuronosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranuronosyl-β-D-glucopyranoside de (3β,18α)-30-hydroxy-11,30-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-[(6-O-β-D-glucopyranuronosyl-β-D-glucopyranosyl)oxy]-11-oxo-, (3β,18α)- [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: 941.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.3±6.0 kJ/mol
Flash Point: 278.3±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 201.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.43
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 575.9±5.0 cm3

Click to predict properties on the Chemicalize site


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