ChemSpider 2D Image | (17beta)-17-Hydroxy(2,2,4,6,6-~2~H_5_)androst-4-en-3-one | C19H23D5O2

(17β)-17-Hydroxy(2,2,4,6,6-2H5)androst-4-en-3-one

  • Molecular FormulaC19H23D5O2
  • Average mass293.455 Da
  • Monoisotopic mass293.240326 Da
  • ChemSpider ID32819505
  • 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

(17β)-17-Hydroxy(2,2,4,6,6-2H5)androst-4-en-3-on [German] [ACD/IUPAC Name]
(17β)-17-Hydroxy(2,2,4,6,6-2H5)androst-4-en-3-one [ACD/IUPAC Name]
(17β)-17-Hydroxy(2,2,4,6,6-2H5)androst-4-én-3-one [French] [ACD/IUPAC Name]
(1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl(5,5,6,8,8-²H?)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
21002-80-2 [RN]
Androst-4-en-3-one-2,2,4,6,6-d5, 17-hydroxy-, (17β)- [ACD/Index Name]
(8R,9S,10R,13S,14S,17S)-2,2,4,6,6-pentadeuterio-17-hydroxy-10,13-dimethyl-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Testosterone-2,2,4,6,6-d5

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 432.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.5±6.0 kJ/mol
    Flash Point: 184.7±21.3 °C
    Index of Refraction: 1.560
    Molar Refractivity: 83.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.47
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 147.62
    ACD/KOC (pH 5.5): 1242.44
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 147.62
    ACD/KOC (pH 7.4): 1242.44
    Polar Surface Area: 37 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 44.5±5.0 dyne/cm
    Molar Volume: 257.0±5.0 cm3

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