ChemSpider 2D Image | (5alpha,17beta)-3-Oxo-5,10-epoxyestran-17-yl acetate | C20H28O4

(5α,17β)-3-Oxo-5,10-epoxyestran-17-yl acetate

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID88294911

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,17β)-3-Oxo-5,10-epoxyestran-17-yl acetate [ACD/IUPAC Name]
(5α,17β)-3-Oxo-5,10-epoxyestran-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,17β)-3-oxo-5,10-époxyestran-17-yle [French] [ACD/IUPAC Name]
Estran-3-one, 17-(acetyloxy)-5,10-epoxy-, (5α,17β)- [ACD/Index Name]
124831-98-7 [RN]
17β-(Acetyloxy)-5α,10-epoxyestran-3-one
3-Keto-5,10-epoxy-nor-19-methylandrostane-17-acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 199.5±28.8 °C
Index of Refraction: 1.558
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.37
ACD/KOC (pH 5.5): 607.81
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.37
ACD/KOC (pH 7.4): 607.81
Polar Surface Area: 56 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 273.3±5.0 cm3

Click to predict properties on the Chemicalize site


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