ChemSpider 2D Image | (10alpha)-12-Hydroxyabieta-8,11,13-trien-20-oic acid | C20H28O3

(10α)-12-Hydroxyabieta-8,11,13-trien-20-oic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID82963897

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10α)-12-Hydroxyabieta-8,11,13-trien-20-oic acid [ACD/IUPAC Name]
(10α)-12-Hydroxyabieta-8,11,13-trien-20-säure [German] [ACD/IUPAC Name]
4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aS,10aS)- [ACD/Index Name]
Acide (10α)-12-hydroxyabiéta-8,11,13-trién-20-oïque [French] [ACD/IUPAC Name]
67494-15-9 [RN]
pisiferic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 252.2±25.2 °C
Index of Refraction: 1.558
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 485.45
ACD/KOC (pH 5.5): 1268.83
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 21.00
Polar Surface Area: 58 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 282.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement