ChemSpider 2D Image | (5xi,10alpha)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid | C20H28O4

(5ξ,10α)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID30809637

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5ξ,10α)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid [ACD/IUPAC Name]
(5ξ,10α)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-säure [German] [ACD/IUPAC Name]
4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aS)- [ACD/Index Name]
Acide (5ξ,10α)-11,12-dihydroxyabiéta-8(14),9(11),12-trién-20-oïque [French] [ACD/IUPAC 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: 506.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 274.2±26.6 °C
Index of Refraction: 1.576
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 130.92
ACD/KOC (pH 5.5): 461.29
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 7.99
Polar Surface Area: 78 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

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