ChemSpider 2D Image | (5alpha,17beta)-2-Methyl-3-oxoandrostan-17-yl propionate | C23H36O3

(5α,17β)-2-Methyl-3-oxoandrostan-17-yl propionate

  • Molecular FormulaC23H36O3
  • Average mass360.530 Da
  • Monoisotopic mass360.266449 Da
  • ChemSpider ID82964726

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5α,17β)-2-Methyl-3-oxoandrostan-17-yl propionate [ACD/IUPAC Name]
(5α,17β)-2-Methyl-3-oxoandrostan-17-ylpropionat [German] [ACD/IUPAC Name]
Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (5α,17β)- [ACD/Index Name]
Propionate de (5α,17β)-2-méthyl-3-oxoandrostan-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 445.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 190.5±28.8 °C
Index of Refraction: 1.522
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3240.18
ACD/KOC (pH 5.5): 11335.99
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3240.18
ACD/KOC (pH 7.4): 11335.99
Polar Surface Area: 43 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement