ChemSpider 2D Image | (3beta)-7-Methyleneabieta-8,11,13-triene-3,19-diol | C21H30O2

(3β)-7-Methyleneabieta-8,11,13-triene-3,19-diol

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID24699515

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3β)-7-Methylenabieta-8,11,13-trien-3,19-diol [German] [ACD/IUPAC Name]
(3β)-7-Methyleneabieta-8,11,13-triene-3,19-diol [ACD/IUPAC Name]
(3β)-7-Méthylèneabiéta-8,11,13-triène-3,19-diol [French] [ACD/IUPAC Name]
1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-2-hydroxy-1,4a-dimethyl-9-methylene-7-(1-methylethyl)-, (1S,2S,4aS,10aR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479708/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 201.7±23.3 °C
Index of Refraction: 1.567
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4204.26
ACD/KOC (pH 5.5): 13659.36
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4204.26
ACD/KOC (pH 7.4): 13659.36
Polar Surface Area: 40 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 289.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement