ChemSpider 2D Image | (16alpha)-16,17-Dimethyl-20-oxopregn-5-en-1-yl acetate | C25H38O3

(16α)-16,17-Dimethyl-20-oxopregn-5-en-1-yl acetate

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID95600642

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(16α)-16,17-Dimethyl-20-oxopregn-5-en-1-yl acetate [ACD/IUPAC Name]
(16α)-16,17-Dimethyl-20-oxopregn-5-en-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (16α)-16,17-diméthyl-20-oxoprégn-5-én-1-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 1-(acetyloxy)-16,17-dimethyl-, (16α)- [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: 464.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 197.2±28.8 °C
Index of Refraction: 1.529
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13749.63
ACD/KOC (pH 5.5): 31898.96
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13749.63
ACD/KOC (pH 7.4): 31898.96
Polar Surface Area: 43 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 360.7±5.0 cm3

Click to predict properties on the Chemicalize site


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