ChemSpider 2D Image | MFCD00021140 | C35H52O2

MFCD00021140

  • Molecular FormulaC35H52O2
  • Average mass504.786 Da
  • Monoisotopic mass504.396729 Da
  • ChemSpider ID105564

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl phenylacetate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-phenylacetat [German] [ACD/IUPAC Name]
251-781-1 [EINECS]
33998-26-4 [RN]
3β-Hydroxy-5-cholestene 3-phenylacetate
5-Cholesten-3β-ol 3-phenylacetate
Benzeneacetic acid, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
Cholesterol Phenylacetate
Cholesteryl phenylacetate
MFCD00021140
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 575.6±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.2±3.0 kJ/mol
    Flash Point: 300.4±11.8 °C
    Index of Refraction: 1.545
    Molar Refractivity: 154.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 12.49
    ACD/LogD (pH 5.5): 11.01
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 11.01
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 26 Å2
    Polarizability: 61.2±0.5 10-24cm3
    Surface Tension: 41.2±5.0 dyne/cm
    Molar Volume: 487.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement