ChemSpider 2D Image | pachyphyllone | C20H28O3

pachyphyllone

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID23339124

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

11-Hydroxy-8,20-epoxyabieta-9(11),13-dien-12-on [German] [ACD/IUPAC Name]
11-Hydroxy-8,20-epoxyabieta-9(11),13-dien-12-one [ACD/IUPAC Name]
11-Hydroxy-8,20-époxyabiéta-9(11),13-dién-12-one [French] [ACD/IUPAC Name]
2H,6H-8a,4a-(Epoxymethano)phenanthren-6-one, 1,3,4,9,10,10a-hexahydro-5-hydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,8aR,10aS)- [ACD/Index Name]
pachyphyllone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491878/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 171.0±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4699.15
ACD/KOC (pH 5.5): 14791.22
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4639.94
ACD/KOC (pH 7.4): 14604.86
Polar Surface Area: 47 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

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