ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-17-Hydroxyestra-4,6-dien-3-one | C18H24O2

(8α,9β,10α,13α,14β,17α)-17-Hydroxyestra-4,6-dien-3-one

  • Molecular FormulaC18H24O2
  • Average mass272.382 Da
  • Monoisotopic mass272.177643 Da
  • ChemSpider ID114553599

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,17α)-17-Hydroxyestra-4,6-dien-3-on [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-17-Hydroxyestra-4,6-dien-3-one [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-17-Hydroxyestra-4,6-dién-3-one [French] [ACD/IUPAC Name]
Estra-4,6-dien-3-one, 17-hydroxy-, (8α,9β,10α,13α,14β,17α)- [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: 453.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 193.3±21.3 °C
Index of Refraction: 1.584
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.52
ACD/KOC (pH 5.5): 509.74
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.52
ACD/KOC (pH 7.4): 509.74
Polar Surface Area: 37 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 234.2±5.0 cm3

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