ChemSpider 2D Image | (16alpha,17alpha)-3-(Benzyloxy)estra-1(10),2,4-triene-16,17-diol | C25H30O3

(16α,17α)-3-(Benzyloxy)estra-1(10),2,4-triene-16,17-diol

  • Molecular FormulaC25H30O3
  • Average mass378.504 Da
  • Monoisotopic mass378.219482 Da
  • ChemSpider ID48063747

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α,17α)-3-(Benzyloxy)estra-1(10),2,4-trien-16,17-diol [German] [ACD/IUPAC Name]
(16α,17α)-3-(Benzyloxy)estra-1(10),2,4-triene-16,17-diol [ACD/IUPAC Name]
(16α,17α)-3-(Benzyloxy)estra-1(10),2,4-triène-16,17-diol [French] [ACD/IUPAC Name]
1316291-21-0 [RN]
Estra-1(10),2,4-triene-16,17-diol, 3-(phenylmethoxy)-, (16α,17α)- [ACD/Index Name]
(16α,17α)-3-(Benzyloxy)estra-1,3,5(10)-triene-16,17-diol
(16α,17α)-3-(PhenylMethoxy)-estra-1,3,5(10)-triene-16,17-diol
(8R,9S,13S,14S,16R,17S)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
3-o-benzyl 17-epiestriol

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 542.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 281.7±30.1 °C
    Index of Refraction: 1.616
    Molar Refractivity: 110.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.25
    ACD/LogD (pH 5.5): 4.51
    ACD/BCF (pH 5.5): 1568.58
    ACD/KOC (pH 5.5): 6744.37
    ACD/LogD (pH 7.4): 4.51
    ACD/BCF (pH 7.4): 1568.58
    ACD/KOC (pH 7.4): 6744.37
    Polar Surface Area: 50 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 49.0±3.0 dyne/cm
    Molar Volume: 315.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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