ChemSpider 2D Image | 6?-hydroxy-ethinylestradiol | C20H24O3

6?-hydroxy-ethinylestradiol

  • Molecular FormulaC20H24O3
  • Average mass312.403 Da
  • Monoisotopic mass312.172546 Da
  • ChemSpider ID26380648

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6α,17α)-19-Norpregna-1(10),2,4-trien-20-in-3,6,17-triol [German] [ACD/IUPAC Name]
(6α,17α)-19-Norpregna-1(10),2,4-trien-20-yne-3,6,17-triol [ACD/IUPAC Name]
(6α,17α)-19-Norprégna-1(10),2,4-trién-20-yne-3,6,17-triol [French] [ACD/IUPAC Name]
27521-34-2 [RN]
6?-hydroxy-ethinylestradiol
Estra-1(10),2,4-triene-3,6,17-triol, 17-ethynyl-, (6α,17β)- [ACD/Index Name]
(6S,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,6α,17-triol (6α-Hydroxyethinylestradiol)
6α-Hydroxy Ethynyl Estradiol
6α-HYDROXY-ETHINYLESTRADIOL
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 500.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±3.0 kJ/mol
    Flash Point: 233.0±24.7 °C
    Index of Refraction: 1.644
    Molar Refractivity: 87.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 62.99
    ACD/KOC (pH 5.5): 675.34
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 62.86
    ACD/KOC (pH 7.4): 673.99
    Polar Surface Area: 61 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 64.6±5.0 dyne/cm
    Molar Volume: 242.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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