ChemSpider 2D Image | (3beta)-20-Oxopregna-5,14,16-trien-3-yl acetate | C23H30O3

(3β)-20-Oxopregna-5,14,16-trien-3-yl acetate

  • Molecular FormulaC23H30O3
  • Average mass354.483 Da
  • Monoisotopic mass354.219482 Da
  • ChemSpider ID62310334

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3α,9β,10α)-20-Oxopregna-5,14,16-trien-3-yl acetate [ACD/IUPAC Name]
(3α,9β,10α)-20-Oxopregna-5,14,16-trien-3-yl-acetat [German] [ACD/IUPAC Name]
(3β)-20-Oxopregna-5,14,16-trien-3-yl acetate [ACD/IUPAC Name]
(3β)-20-Oxopregna-5,14,16-trien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,9β,10α)-20-oxoprégna-5,14,16-trién-3-yle [French] [ACD/IUPAC Name]
Acétate de (3β)-20-oxoprégna-5,14,16-trién-3-yle [French] [ACD/IUPAC Name]
Pregna-5,14,16-trien-20-one, 3-(acetyloxy)-, (3α,9β,10α)- [ACD/Index Name]
Pregna-5,14,16-trien-20-one, 3-(acetyloxy)-, (3β)- [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: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 210.1±28.8 °C
Index of Refraction: 1.561
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2839.35
ACD/KOC (pH 5.5): 10313.58
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2839.35
ACD/KOC (pH 7.4): 10313.58
Polar Surface Area: 43 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 313.1±5.0 cm3

Click to predict properties on the Chemicalize site


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