ChemSpider 2D Image | (3beta,8xi,9xi)-20-Oxopregna-5,16-dien-3-yl acetate | C23H32O3

(3β,8ξ,9ξ)-20-Oxopregna-5,16-dien-3-yl acetate

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID75548788

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3β,8ξ,9ξ)-20-Oxopregna-5,16-dien-3-yl acetate [ACD/IUPAC Name]
(3β,8ξ,9ξ)-20-Oxopregna-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,8ξ,9ξ)-20-oxoprégna-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3β,8ξ,9ξ)- [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: 464.4±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: 200.1±28.8 °C
Index of Refraction: 1.547
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2548.98
ACD/KOC (pH 5.5): 9547.13
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2548.98
ACD/KOC (pH 7.4): 9547.13
Polar Surface Area: 43 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 320.6±5.0 cm3

Click to predict properties on the Chemicalize site


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