ChemSpider 2D Image | (7alpha,13xi)-7-[(4-Aminophenyl)sulfanyl]androsta-1,4-diene-3,17-dione | C25H29NO2S

(7α,13ξ)-7-[(4-Aminophenyl)sulfanyl]androsta-1,4-diene-3,17-dione

  • Molecular FormulaC25H29NO2S
  • Average mass407.568 Da
  • Monoisotopic mass407.191895 Da
  • ChemSpider ID58816414

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(7α,13ξ)-7-[(4-Aminophenyl)sulfanyl]androsta-1,4-dien-3,17-dion [German] [ACD/IUPAC Name]
(7α,13ξ)-7-[(4-Aminophenyl)sulfanyl]androsta-1,4-diene-3,17-dione [ACD/IUPAC Name]
(7α,13ξ)-7-[(4-Aminophényl)sulfanyl]androsta-1,4-diène-3,17-dione [French] [ACD/IUPAC Name]
Androsta-1,4-diene-3,17-dione, 7-[(4-aminophenyl)thio]-, (7α,13ξ)- [ACD/Index Name]
110325-37-6 [RN]
7-((4'-Aminophenyl)thio)-1,4-androstadiene-3,17-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 231.08
ACD/KOC (pH 5.5): 1682.09
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.83
ACD/KOC (pH 7.4): 1789.44
Polar Surface Area: 85 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

Click to predict properties on the Chemicalize site


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