ChemSpider 2D Image | (13xi)-7-Phenylandrosta-1,4,6-triene-3,17-dione | C25H26O2

(13ξ)-7-Phenylandrosta-1,4,6-triene-3,17-dione

  • Molecular FormulaC25H26O2
  • Average mass358.473 Da
  • Monoisotopic mass358.193268 Da
  • ChemSpider ID58816644

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(13ξ)-7-Phenylandrosta-1,4,6-trien-3,17-dion [German] [ACD/IUPAC Name]
(13ξ)-7-Phenylandrosta-1,4,6-triene-3,17-dione [ACD/IUPAC Name]
(13ξ)-7-Phénylandrosta-1,4,6-triène-3,17-dione [French] [ACD/IUPAC Name]
Androsta-1,4,6-triene-3,17-dione, 7-phenyl-, (13ξ)- [ACD/Index Name]
131802-65-8 [RN]
7-phenyl-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: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 200.2±27.1 °C
Index of Refraction: 1.621
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.59
ACD/KOC (pH 5.5): 2349.90
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.59
ACD/KOC (pH 7.4): 2349.90
Polar Surface Area: 34 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 301.4±5.0 cm3

Click to predict properties on the Chemicalize site


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