ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi)-17-Hydroxyestran-3-one | C18H28O2

(5α,8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxyestran-3-one

  • Molecular FormulaC18H28O2
  • Average mass276.414 Da
  • Monoisotopic mass276.208923 Da
  • ChemSpider ID22888947
  • defined stereocentres - 1 of 7 defined stereocentres


More details:






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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxyestran-3-on [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxyestran-3-one [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxyestran-3-one [French] [ACD/IUPAC Name]
Estran-3-one, 17-hydroxy-, (5α,8ξ,9ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 412.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 176.3±21.3 °C
Index of Refraction: 1.536
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.91
ACD/KOC (pH 5.5): 1620.26
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.91
ACD/KOC (pH 7.4): 1620.26
Polar Surface Area: 37 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

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