ChemSpider 2D Image | (3beta)-24,30-Dihydroxy-30-oxooleana-11,13(18)-dien-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid | C42H62O16

(3β)-24,30-Dihydroxy-30-oxooleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC42H62O16
  • Average mass822.932 Da
  • Monoisotopic mass822.403809 Da
  • ChemSpider ID57620807
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(3β)-24,30-Dihydroxy-30-oxooleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-24,30-Dihydroxy-30-oxooleana-11,13(18)-dien-3-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronique de (3β)-24,30-dihydroxy-30-oxooléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
Oleana-11,13(18)-dien-30-oic acid, 3-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-24-hydroxy-, (3β)- [ACD/Index Name]
135815-61-1 [RN]
Licorice-saponin K2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 984.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.7±6.0 kJ/mol
Flash Point: 292.6±27.8 °C
Index of Refraction: 1.635
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.07
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 565.6±5.0 cm3

Click to predict properties on the Chemicalize site






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