ChemSpider 2D Image | (3beta,5xi,18alpha)-3-(beta-D-Glucopyranosyloxy)olean-12-en-28-oic acid | C36H58O8

(3β,5ξ,18α)-3-(β-D-Glucopyranosyloxy)olean-12-en-28-oic acid

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID144757

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-(β-D-Glucopyranosyloxy)olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,18α)-3-(β-D-Glucopyranosyloxy)olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-3-(β-D-glucopyranosyloxy)oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-, (3β,5ξ,18α)- [ACD/Index Name]
3391-80-8 [RN]
Hederoside A2
Olean-12-en-28-oic acid, 3-β-(β-D-glucopyranosyloxy)-
Oleanolic acid 3-O-glucoside
Vitalboside A
β1-Fatsin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 218.8±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 7702.98
ACD/KOC (pH 5.5): 11551.69
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 121.26
ACD/KOC (pH 7.4): 181.85
Polar Surface Area: 137 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 499.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement