ChemSpider 2D Image | (3beta,5xi,9xi,16alpha)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C42H68O13

(3β,5ξ,9ξ,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID28424260

  • defined stereocentres - 17 of 19 defined stereocentres

More details:

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

(3β,5ξ,9ξ,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-desoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside de (3β,5ξ,9ξ,16α)-16,23,28-trihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,5ξ,9ξ,16α)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl- [ACD/Index Name]
58316-41-9 [RN]
Saikosaponin B2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 909.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 504.1±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 202.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 453.79
ACD/KOC (pH 5.5): 2773.96
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 453.79
ACD/KOC (pH 7.4): 2773.95
Polar Surface Area: 219 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 576.2±5.0 cm3

Click to predict properties on the Chemicalize site


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