ChemSpider 2D Image | (17alpha)-17-Hydroxy(16,16,17-~2~H_3_)androst-4-en-3-one | C19H25D3O2

(17α)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-one

  • Molecular FormulaC19H25D3O2
  • Average mass291.443 Da
  • Monoisotopic mass291.227753 Da
  • ChemSpider ID48063869

  • 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

(17α)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-on [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-one [ACD/IUPAC Name]
(17α)-17-Hydroxy(16,16,17-2H3)androst-4-én-3-one [French] [ACD/IUPAC Name]
Androst-4-en-3-one-16,16,17-d3, 17-hydroxy-, (17α)- [ACD/Index Name]
(8R,9S,10R,13S,14S,17R)-16,16,17-trideuterio-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
171199-96-5 [RN]

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

    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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