ChemSpider 2D Image | (3beta,22S)-Cholest-5-ene-3,20,22-triol | C27H46O3

(3β,22S)-Cholest-5-ene-3,20,22-triol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID48063892

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,22S)-Cholest-5-en-3,20,22-triol [German] [ACD/IUPAC Name]
(3β,22S)-Cholest-5-ene-3,20,22-triol [ACD/IUPAC Name]
(3β,22S)-Cholest-5-ène-3,20,22-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,20,22-triol, (3β,22S)- [ACD/Index Name]
(2R,3S)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-2,3-diol
(3??,22S)-Dihydroxy Cholesterol
(3β,22S)-Dihydroxy Cholesterol
(3β,22s)-dihydroxy cholesterol
26649-05-8 [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: 553.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±6.0 kJ/mol
    Flash Point: 233.1±17.8 °C
    Index of Refraction: 1.550
    Molar Refractivity: 123.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.98
    ACD/LogD (pH 5.5): 5.27
    ACD/BCF (pH 5.5): 6002.66
    ACD/KOC (pH 5.5): 17625.04
    ACD/LogD (pH 7.4): 5.27
    ACD/BCF (pH 7.4): 6002.66
    ACD/KOC (pH 7.4): 17625.04
    Polar Surface Area: 61 Å2
    Polarizability: 48.8±0.5 10-24cm3
    Surface Tension: 45.4±5.0 dyne/cm
    Molar Volume: 386.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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