ChemSpider 2D Image | 4-Hydroxyestrone-1,2,16,16-d4 | C18H18D4O3

4-Hydroxyestrone-1,2,16,16-d4

  • Molecular FormulaC18H18D4O3
  • Average mass290.390 Da
  • Monoisotopic mass290.182007 Da
  • ChemSpider ID31046562

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3,4-Dihydroxy(1,2,16,16-2H4)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
3,4-Dihydroxy(1,2,16,16-2H4)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
3,4-Dihydroxy(1,2,16,16-2H4)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4
4-Hydroxyestrone-1,2,16,16-d4
81586-98-3 [RN]
Estra-1(10),2,4-trien-17-one-1,2,16,16-d4, 3,4-dihydroxy- [ACD/Index Name]
(8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
3,4-Dihydroxy(1,2,16,16-2H4)estra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
4-Hydroxy Estrone-d4

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 468.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 251.1±25.2 °C
    Index of Refraction: 1.610
    Molar Refractivity: 79.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 86.90
    ACD/KOC (pH 5.5): 850.27
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 86.54
    ACD/KOC (pH 7.4): 846.78
    Polar Surface Area: 58 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 230.6±3.0 cm3

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