ChemSpider 2D Image | (5xi)-7,20-Epoxyabieta-8,11,13-triene-11,12-diol | C20H28O3

(5ξ)-7,20-Epoxyabieta-8,11,13-triene-11,12-diol

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID78741830

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5ξ)-7,20-Epoxyabieta-8,11,13-trien-11,12-diol [German] [ACD/IUPAC Name]
(5ξ)-7,20-Epoxyabieta-8,11,13-triene-11,12-diol [ACD/IUPAC Name]
(5ξ)-7,20-Époxyabiéta-8,11,13-triène-11,12-diol [French] [ACD/IUPAC Name]
2H-9,4a-(Epoxymethano)phenanthrene-5,6-diol, 1,3,4,9,10,10a-hexahydro-1,1-dimethyl-7-(1-methylethyl)-, (4aR)- [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: 463.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 233.9±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3877.55
ACD/KOC (pH 5.5): 12890.55
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3849.83
ACD/KOC (pH 7.4): 12798.40
Polar Surface Area: 50 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


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