ChemSpider 2D Image | (3beta,7alpha)-7-Hydroxycholest-5-en-3-yl benzoate | C34H50O3

(3β,7α)-7-Hydroxycholest-5-en-3-yl benzoate

  • Molecular FormulaC34H50O3
  • Average mass506.759 Da
  • Monoisotopic mass506.376007 Da
  • ChemSpider ID9256866

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,7α)-7-Hydroxycholest-5-en-3-yl benzoate [ACD/IUPAC Name]
(3β,7α)-7-Hydroxycholest-5-en-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,7α)-7-hydroxycholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-ene-3,7-diol, 3-benzoate, (3β,7α)- [ACD/Index Name]
(3&β;,7&α;)-Cholest-5-ene-3,7-diol 3-Benzoate
(3??,7??)-Cholest-5-ene-3,7-diol 3-Benzoate
(3b,7a)-Cholest-5-ene-3,7-diol 3-Benzoate
(3S,7S,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate
(3β,7α)-cholest-5-ene-3,7-diol 3-benzoate
(3β,7α)-Cholest-5-ene-3,7-diol 3-benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 595.0±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.3±3.0 kJ/mol
    Flash Point: 218.2±20.9 °C
    Index of Refraction: 1.557
    Molar Refractivity: 151.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 10.77
    ACD/LogD (pH 5.5): 8.94
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1749954.38
    ACD/LogD (pH 7.4): 8.94
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1749954.38
    Polar Surface Area: 47 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 44.2±5.0 dyne/cm
    Molar Volume: 469.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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