ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta,17alpha)-3-Hydroxyestra-1(10),2,4-trien-17-yl cyclohexanecarboxylate | C25H34O3

(8α,9β,13α,14β,17α)-3-Hydroxyestra-1(10),2,4-trien-17-yl cyclohexanecarboxylate

  • Molecular FormulaC25H34O3
  • Average mass382.536 Da
  • Monoisotopic mass382.250793 Da
  • ChemSpider ID78076588

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8α,9β,13α,14β,17α)-3-Hydroxyestra-1(10),2,4-trien-17-yl cyclohexanecarboxylate [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-3-Hydroxyestra-1(10),2,4-trien-17-yl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de (8α,9β,13α,14β,17α)-3-hydroxyestra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, (8α,9β,13α,14β,17α)-3-hydroxyestra-1(10),2,4-trien-17-yl ester [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: 522.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 205.4±22.9 °C
Index of Refraction: 1.584
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25258.26
ACD/KOC (pH 5.5): 49297.33
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25222.92
ACD/KOC (pH 7.4): 49228.37
Polar Surface Area: 47 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 328.1±5.0 cm3

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