ChemSpider 2D Image | MFCD00021142 | C39H68O2

MFCD00021142

  • Molecular FormulaC39H68O2
  • Average mass568.956 Da
  • Monoisotopic mass568.521912 Da
  • ChemSpider ID92314

  • 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 laurate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yllaurat [German] [ACD/IUPAC Name]
1908-11-8 [RN]
217-613-6 [EINECS]
3β-Hydroxy-5-cholestene 3-dodecanoate
5-Cholesten-3β-ol 3-dodecanoate
Cholest-5-en-3β-ol dodecanoate
Cholest-5-en-3β-ol dodecanoate
cholest-5-en-3β-yl dodecanoate
Cholesterol, laurate
More...

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

3CV9B999WH [DBID]
08.11.1908 [DBID]
LMST01020001 [DBID]
NSC 80701 [DBID]
NSC80701 [DBID]
UNII:3CV9B999WH [DBID]
UNII-3CV9B999WH [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 609.4±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.5±3.0 kJ/mol
    Flash Point: 321.5±13.2 °C
    Index of Refraction: 1.508
    Molar Refractivity: 175.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 2
    ACD/LogP: 16.02
    ACD/LogD (pH 5.5): 14.51
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 14.51
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 26 Å2
    Polarizability: 69.7±0.5 10-24cm3
    Surface Tension: 37.7±5.0 dyne/cm
    Molar Volume: 590.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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