ChemSpider 2D Image | (3alpha)-11,20-Dioxopregn-16-en-3-yl acetate | C23H32O4

(3α)-11,20-Dioxopregn-16-en-3-yl acetate

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID73975043

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3α)-11,20-Dioxopregn-16-en-3-yl acetate [ACD/IUPAC Name]
(3α)-11,20-Dioxopregn-16-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α)-11,20-dioxoprégn-16-én-3-yle [French] [ACD/IUPAC Name]
Pregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3α)- [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: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 211.7±28.8 °C
Index of Refraction: 1.541
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.49
ACD/KOC (pH 5.5): 2240.83
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.49
ACD/KOC (pH 7.4): 2240.83
Polar Surface Area: 60 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 324.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement