ChemSpider 2D Image | (5alpha,8xi,10xi,13xi,14xi)-20-Oxopregna-9(11),16-dien-3-yl acetate | C23H32O3

(5α,8ξ,10ξ,13ξ,14ξ)-20-Oxopregna-9(11),16-dien-3-yl acetate

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID22889231

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(5α,8ξ,10ξ,13ξ,14ξ)-20-Oxopregna-9(11),16-dien-3-yl acetate [ACD/IUPAC Name]
(5α,8ξ,10ξ,13ξ,14ξ)-20-Oxopregna-9(11),16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8ξ,10ξ,13ξ,14ξ)-20-oxoprégna-9(11),16-dién-3-yle [French] [ACD/IUPAC Name]
Pregna-9(11),16-dien-20-one, 3-(acetyloxy)-, (5α,8ξ,10ξ,13ξ,14ξ)- [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: 468.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 202.0±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: 5.35
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3121.41
ACD/KOC (pH 5.5): 11036.99
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3121.41
ACD/KOC (pH 7.4): 11036.99
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

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