ChemSpider 2D Image | (3alpha,5alpha,17alpha)-3-Hydroxyandrostane-17-carbonitrile | C20H31NO

(3α,5α,17α)-3-Hydroxyandrostane-17-carbonitrile

  • Molecular FormulaC20H31NO
  • Average mass301.466 Da
  • Monoisotopic mass301.240570 Da
  • ChemSpider ID31106631

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5α,17α)-3-Hydroxyandrostan-17-carbonitril [German] [ACD/IUPAC Name]
(3α,5α,17α)-3-Hydroxyandrostane-17-carbonitrile [ACD/IUPAC Name]
(3α,5α,17α)-3-Hydroxyandrostane-17-carbonitrile [French] [ACD/IUPAC Name]
Androstane-17-carbonitrile, 3-hydroxy-, (3α,5α,17α)- [ACD/Index Name]
(3R,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 441.8±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.7±6.0 kJ/mol
    Flash Point: 221.0±21.2 °C
    Index of Refraction: 1.545
    Molar Refractivity: 87.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.60
    ACD/LogD (pH 5.5): 4.28
    ACD/BCF (pH 5.5): 1056.44
    ACD/KOC (pH 5.5): 5082.38
    ACD/LogD (pH 7.4): 4.28
    ACD/BCF (pH 7.4): 1056.44
    ACD/KOC (pH 7.4): 5082.38
    Polar Surface Area: 44 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 45.0±5.0 dyne/cm
    Molar Volume: 278.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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