ChemSpider 2D Image | (3beta,12beta,24R)-3,12-Dihydroxy-24-methyl-23-oxolanost-8-en-26-oic acid | C31H50O5

(3β,12β,24R)-3,12-Dihydroxy-24-methyl-23-oxolanost-8-en-26-oic acid

  • Molecular FormulaC31H50O5
  • Average mass502.726 Da
  • Monoisotopic mass502.365814 Da
  • ChemSpider ID78439567

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,12β,24R)-3,12-Dihydroxy-24-methyl-23-oxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,12β,24R)-3,12-Dihydroxy-24-methyl-23-oxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,12β,24R)-3,12-dihydroxy-24-méthyl-23-oxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,12-dihydroxy-24-methyl-23-oxo-, (3β,12β,24R)- [ACD/Index Name]
Quercinic acid C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 345.2±28.0 °C
Index of Refraction: 1.550
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 3017.87
ACD/KOC (pH 5.5): 6458.68
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 48.59
ACD/KOC (pH 7.4): 103.99
Polar Surface Area: 95 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 444.7±5.0 cm3

Click to predict properties on the Chemicalize site


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