ChemSpider 2D Image | (9beta,14beta,17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate | C25H28O3

(9β,14β,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate

  • Molecular FormulaC25H28O3
  • Average mass376.488 Da
  • Monoisotopic mass376.203857 Da
  • ChemSpider ID24541047

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9β,14β,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate [ACD/IUPAC Name]
(9β,14β,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (9β,14β,17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate, (9β,14β,17β)- [ACD/Index Name]
85026-87-5 [RN]
estradiol benzoate [INN] [JAN] [JP15]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 212.0±22.9 °C
Index of Refraction: 1.604
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5840.71
ACD/KOC (pH 5.5): 17283.35
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5840.71
ACD/KOC (pH 7.4): 17283.35
Polar Surface Area: 47 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 317.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement