ChemSpider 2D Image | (13alpha,17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate | C25H28O3

(13α,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate

  • Molecular FormulaC25H28O3
  • Average mass376.488 Da
  • Monoisotopic mass376.203857 Da
  • ChemSpider ID32697306

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(13α,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate [ACD/IUPAC Name]
(13α,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (13α,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, (13α,17β)- [ACD/Index Name]
(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate
1,3,5(10)-Estratriene-3,17β-diol 3-benzoate
200-043-7 [EINECS]
50-50-0 [RN]
KG4050000
MFCD00003692 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

    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


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