ChemSpider 2D Image | (3beta,5alpha,6beta)-Androstane-3,5,6-triol | C19H32O3

(3β,5α,6β)-Androstane-3,5,6-triol

  • Molecular FormulaC19H32O3
  • Average mass308.456 Da
  • Monoisotopic mass308.235138 Da
  • ChemSpider ID32077055

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,6β)-Androstan-3,5,6-triol [German] [ACD/IUPAC Name]
(3β,5α,6β)-Androstane-3,5,6-triol [ACD/IUPAC Name]
(3β,5α,6β)-Androstane-3,5,6-triol [French] [ACD/IUPAC Name]
Androstane-3,5,6-triol, (3β,5α,6β)- [ACD/Index Name]
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-dimethylhexadecahydro-5H-cyclopenta[a]phenanthrene-3,5,6-triol
4725-51-3 [RN]
androstane-3,5,6-triol,(3,5,6)-(9ci)
Annaosanchun
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 430.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.2±6.0 kJ/mol
    Flash Point: 193.1±20.5 °C
    Index of Refraction: 1.580
    Molar Refractivity: 86.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 122.93
    ACD/KOC (pH 5.5): 1089.91
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 122.93
    ACD/KOC (pH 7.4): 1089.91
    Polar Surface Area: 61 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 259.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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