ChemSpider 2D Image | (2alpha,3beta,11alpha)-2,3,23-Trihydroxy-11-methoxyolean-12-en-28-oic acid | C31H50O6

(2α,3β,11α)-2,3,23-Trihydroxy-11-methoxyolean-12-en-28-oic acid

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID76789679

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β,11α)-2,3,23-Trihydroxy-11-methoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,11α)-2,3,23-Trihydroxy-11-methoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β,11α)-2,3,23-trihydroxy-11-méthoxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,3,23-trihydroxy-11-methoxy-, (2α,3β,11α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 194.9±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 985.05
ACD/KOC (pH 5.5): 2502.24
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 15.49
ACD/KOC (pH 7.4): 39.34
Polar Surface Area: 107 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 432.6±5.0 cm3

Click to predict properties on the Chemicalize site


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