ChemSpider 2D Image | (3alpha,5alpha)-3-Hydroxy-2-(~2~H_3_)methylandrost-1-en-17-one | C20H27D3O2

(3α,5α)-3-Hydroxy-2-(2H3)methylandrost-1-en-17-one

  • Molecular FormulaC20H27D3O2
  • Average mass305.470 Da
  • Monoisotopic mass305.243408 Da
  • ChemSpider ID107444170

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,5α)-3-Hydroxy-2-(2H3)methylandrost-1-en-17-on [German] [ACD/IUPAC Name]
(3α,5α)-3-Hydroxy-2-(2H3)methylandrost-1-en-17-one [ACD/IUPAC Name]
(3α,5α)-3-Hydroxy-2-(2H3)méthylandrost-1-én-17-one [French] [ACD/IUPAC Name]
Androst-1-en-17-one, 3-hydroxy-2-(methyl-d3)-, (3α,5α)- [ACD/Index Name]
1206969-04-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±6.0 kJ/mol
Flash Point: 181.9±21.3 °C
Index of Refraction: 1.542
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 553.26
ACD/KOC (pH 5.5): 3198.83
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 553.26
ACD/KOC (pH 7.4): 3198.83
Polar Surface Area: 37 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 278.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement