ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta)-3-Hydroxyestra-1(10),2,4,6-tetraen-17-one | C18H20O2

(8α,9β,13α,14β)-3-Hydroxyestra-1(10),2,4,6-tetraen-17-one

  • Molecular FormulaC18H20O2
  • Average mass268.350 Da
  • Monoisotopic mass268.146332 Da
  • ChemSpider ID78076586

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8α,9β,13α,14β)-3-Hydroxyestra-1(10),2,4,6-tetraen-17-on [German] [ACD/IUPAC Name]
(8α,9β,13α,14β)-3-Hydroxyestra-1(10),2,4,6-tetraen-17-one [ACD/IUPAC Name]
(8α,9β,13α,14β)-3-Hydroxyestra-1(10),2,4,6-tétraén-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4,6-tetraen-17-one, 3-hydroxy-, (8α,9β,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: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 193.6±21.3 °C
Index of Refraction: 1.605
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.18
ACD/KOC (pH 5.5): 1233.74
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.77
ACD/KOC (pH 7.4): 1230.28
Polar Surface Area: 37 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 225.4±3.0 cm3

Click to predict properties on the Chemicalize site


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