ChemSpider 2D Image | (5alpha,10alpha,13alpha,17beta)-1-Methyl-3-oxoandrost-1-en-17-yl acetate | C22H32O3

(5α,10α,13α,17β)-1-Methyl-3-oxoandrost-1-en-17-yl acetate

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID110803582

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,10α,13α,17β)-1-Methyl-3-oxoandrost-1-en-17-yl acetate [ACD/IUPAC Name]
(5α,10α,13α,17β)-1-Methyl-3-oxoandrost-1-en-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,10α,13α,17β)-1-méthyl-3-oxoandrost-1-én-17-yle [French] [ACD/IUPAC Name]
Androst-1-en-3-one, 17-(acetyloxy)-1-methyl-, (5α,10α,13α,17β)- [ACD/Index 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: 441.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 189.9±28.8 °C
Index of Refraction: 1.536
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1156.25
ACD/KOC (pH 5.5): 5421.66
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1156.25
ACD/KOC (pH 7.4): 5421.66
Polar Surface Area: 43 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 311.8±5.0 cm3

Click to predict properties on the Chemicalize site


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