ChemSpider 2D Image | 3-(Benzyloxy)estra-1,3,5(10),16-tetraene | C25H28O

3-(Benzyloxy)estra-1,3,5(10),16-tetraene

  • Molecular FormulaC25H28O
  • Average mass344.489 Da
  • Monoisotopic mass344.214020 Da
  • ChemSpider ID18503184

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-(Benzyloxy)estra-1,3,5(10),16-tetraen [German] [ACD/IUPAC Name]
3-(Benzyloxy)estra-1,3,5(10),16-tetraene [ACD/IUPAC Name]
3-(Benzyloxy)estra-1,3,5(10),16-tétraène [French] [ACD/IUPAC Name]
Estra-1,3,5(10),16-tetraene, 3-(phenylmethoxy)- [ACD/Index Name]
(8S,9S,13R,14S)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene
23880-57-1 [RN]
3-(Benzyloxy)-estra-1,3,5(10),16-tetraene
3-(Phenylmethoxy)-estra-1,3,5(10),16-tetraene
3-O-Benzyl estratetraenol

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 484.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 199.8±18.0 °C
    Index of Refraction: 1.593
    Molar Refractivity: 106.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 8.03
    ACD/LogD (pH 5.5): 6.59
    ACD/BCF (pH 5.5): 59749.89
    ACD/KOC (pH 5.5): 91302.69
    ACD/LogD (pH 7.4): 6.59
    ACD/BCF (pH 7.4): 59749.89
    ACD/KOC (pH 7.4): 91302.69
    Polar Surface Area: 9 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 315.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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