ChemSpider 2D Image | (6beta,8alpha,9beta,10alpha,13alpha,14beta)-6-Hydroxyestr-4-ene-3,17-dione | C18H24O3

(6β,8α,9β,10α,13α,14β)-6-Hydroxyestr-4-ene-3,17-dione

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID114553460

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6β,8α,9β,10α,13α,14β)-6-Hydroxyestr-4-en-3,17-dion [German] [ACD/IUPAC Name]
(6β,8α,9β,10α,13α,14β)-6-Hydroxyestr-4-ene-3,17-dione [ACD/IUPAC Name]
(6β,8α,9β,10α,13α,14β)-6-Hydroxyestr-4-ène-3,17-dione [French] [ACD/IUPAC Name]
Estr-4-ene-3,17-dione, 6-hydroxy-, (6β,8α,9β,10α,13α,14β)- [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: 484.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 260.6±25.2 °C
Index of Refraction: 1.575
Molar Refractivity: 78.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.99
ACD/KOC (pH 5.5): 154.08
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.99
ACD/KOC (pH 7.4): 154.08
Polar Surface Area: 54 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 237.9±5.0 cm3

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