ChemSpider 2D Image | NSC 26646-d6 | C18H18D6O3

NSC 26646-d6

  • Molecular FormulaC18H18D6O3
  • Average mass294.418 Da
  • Monoisotopic mass294.210205 Da
  • ChemSpider ID32819634

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(16β,17β)-(2,4,15,15,16,17-2H6)Estra-1(10),2,4-trien-3,16,17-triol [German] [ACD/IUPAC Name]
(16β,17β)-(2,4,15,15,16,17-2H6)Estra-1(10),2,4-triene-3,16,17-triol [ACD/IUPAC Name]
(16β,17β)-(2,4,15,15,16,17-2H6)Estra-1(10),2,4-triène-3,16,17-triol [French] [ACD/IUPAC Name]
(16β,17β)-(2,4,15,15,16,17-2H6)Estra-1,3,5(10)-trien-3,16,17-triol [German] [ACD/IUPAC Name]
(16β,17β)-(2,4,15,15,16,17-2H6)Estra-1,3,5(10)-triene-3,16,17-triol [ACD/IUPAC Name]
(16β,17β)-(2,4,15,15,16,17-2H6)Estra-1,3,5(10)-triène-3,16,17-triol [French] [ACD/IUPAC Name]
221093-41-0 [RN]
Estra-1(10),2,4-triene-2,4,15,15,16,17-d6-3,16,17-triol, (16β,17β)- [ACD/Index Name]
Estra-1,3,5(10)-triene-2,4,15,15,16,17-d6-3,16,17-triol, (16β,17β)- [ACD/Index Name]
NSC 26646-d6
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 469.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.0±3.0 kJ/mol
    Flash Point: 220.8±23.3 °C
    Index of Refraction: 1.624
    Molar Refractivity: 81.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 67.41
    ACD/KOC (pH 5.5): 708.93
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 67.32
    ACD/KOC (pH 7.4): 707.97
    Polar Surface Area: 61 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 229.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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