ChemSpider 2D Image | (13xi)-7-(2-Phenylethyl)androsta-1,4,6-triene-3,17-dione | C27H30O2

(13ξ)-7-(2-Phenylethyl)androsta-1,4,6-triene-3,17-dione

  • Molecular FormulaC27H30O2
  • Average mass386.526 Da
  • Monoisotopic mass386.224579 Da
  • ChemSpider ID58816646

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(13ξ)-7-(2-Phenylethyl)androsta-1,4,6-trien-3,17-dion [German] [ACD/IUPAC Name]
(13ξ)-7-(2-Phenylethyl)androsta-1,4,6-triene-3,17-dione [ACD/IUPAC Name]
(13ξ)-7-(2-Phényléthyl)androsta-1,4,6-triène-3,17-dione [French] [ACD/IUPAC Name]
Androsta-1,4,6-triene-3,17-dione, 7-(2-phenylethyl)-, (13ξ)- [ACD/Index Name]
131802-67-0 [RN]
7-phenethyl-1,4,6-androstatriene-3,17-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 207.0±27.1 °C
Index of Refraction: 1.607
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2957.00
ACD/KOC (pH 5.5): 10617.71
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2957.00
ACD/KOC (pH 7.4): 10617.71
Polar Surface Area: 34 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 333.7±5.0 cm3

Click to predict properties on the Chemicalize site


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