ChemSpider 2D Image | (4alpha,17beta)-17-Hydroxy-4,5-epoxyestr-1-en-3-one | C18H24O3

(4α,17β)-17-Hydroxy-4,5-epoxyestr-1-en-3-one

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID95601659

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4α,17β)-17-Hydroxy-4,5-epoxyestr-1-en-3-on [German] [ACD/IUPAC Name]
(4α,17β)-17-Hydroxy-4,5-epoxyestr-1-en-3-one [ACD/IUPAC Name]
(4α,17β)-17-Hydroxy-4,5-époxyestr-1-én-3-one [French] [ACD/IUPAC Name]
Estr-1-en-3-one, 4,5-epoxy-17-hydroxy-, (4α,17β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 167.5±22.2 °C
Index of Refraction: 1.599
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.21
ACD/KOC (pH 5.5): 220.77
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.21
ACD/KOC (pH 7.4): 220.77
Polar Surface Area: 50 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 229.4±5.0 cm3

Click to predict properties on the Chemicalize site


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