ChemSpider 2D Image | (3beta,5alpha,17beta)-(16,16,17-~2~H_3_)Androstane-3,17-diol | C19H29D3O2

(3β,5α,17β)-(16,16,17-2H3)Androstane-3,17-diol

  • Molecular FormulaC19H29D3O2
  • Average mass295.475 Da
  • Monoisotopic mass295.259064 Da
  • ChemSpider ID31045401

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5α,17β)-(16,16,17-2H3)Androstan-3,17-diol [German] [ACD/IUPAC Name]
(3β,5α,17β)-(16,16,17-2H3)Androstane-3,17-diol [ACD/IUPAC Name]
(3β,5α,17β)-(16,16,17-2H3)Androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-16,16,17-d3-3,17-diol, (3β,5α,17β)- [ACD/Index Name]
(3S,5S,8R,9S,10S,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
5a-Androstane-3b,17b-diol-d3
5α-Androstan-3β,17β-diol-16,16,17-d3
79037-32-4 [RN]
Androstane-3β-17β-diol D3

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 415.0±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±6.0 kJ/mol
    Flash Point: 186.0±15.8 °C
    Index of Refraction: 1.546
    Molar Refractivity: 85.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 3.53
    ACD/BCF (pH 5.5): 285.89
    ACD/KOC (pH 5.5): 1994.15
    ACD/LogD (pH 7.4): 3.53
    ACD/BCF (pH 7.4): 285.89
    ACD/KOC (pH 7.4): 1994.15
    Polar Surface Area: 40 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 42.6±3.0 dyne/cm
    Molar Volume: 268.1±3.0 cm3

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