ChemSpider 2D Image | (3beta,5beta,8xi,9xi,14xi)-20-Oxo-5,6-epoxypregnan-3-yl acetate | C23H34O4

(3β,5β,8ξ,9ξ,14ξ)-20-Oxo-5,6-epoxypregnan-3-yl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID30650413

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,14ξ)-20-Oxo-5,6-epoxypregnan-3-yl acetate [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,14ξ)-20-Oxo-5,6-epoxypregnan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5β,8ξ,9ξ,14ξ)-20-oxo-5,6-époxyprégnan-3-yle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3-(acetyloxy)-5,6-epoxy-, (3β,5β,8ξ,9ξ,14ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 469.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 202.0±24.6 °C
Index of Refraction: 1.544
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 232.08
ACD/KOC (pH 5.5): 1717.64
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 232.08
ACD/KOC (pH 7.4): 1717.64
Polar Surface Area: 56 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 323.1±5.0 cm3

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