ChemSpider 2D Image | (3beta,9xi,14xi,20R)-Cholest-5-en-3-ol | C27H46O

(3β,9ξ,14ξ,20R)-Cholest-5-en-3-ol

  • Molecular FormulaC27H46O
  • Average mass386.654 Da
  • Monoisotopic mass386.354858 Da
  • ChemSpider ID28945015

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,9ξ,14ξ,20R)-Cholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,9ξ,14ξ,20R)-Cholest-5-en-3-ol [ACD/IUPAC Name]
(3β,9ξ,14ξ,20R)-Cholest-5-én-3-ol [French] [ACD/IUPAC Name]
Cholest-5-en-3-ol, (3β,9ξ,14ξ,20R)- [ACD/Index Name]
(3S,8S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Cholest-5-en-3-ol [ACD/Index Name] [ACD/IUPAC Name]
Cholesterol [JAN] [USAN] [Wiki]
MFCD03783563 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 480.6±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 85.9±6.0 kJ/mol
    Flash Point: 209.3±12.4 °C
    Index of Refraction: 1.525
    Molar Refractivity: 120.0±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 9.85
    ACD/LogD (pH 5.5): 8.10
    ACD/BCF (pH 5.5): 838380.06
    ACD/KOC (pH 5.5): 604739.75
    ACD/LogD (pH 7.4): 8.10
    ACD/BCF (pH 7.4): 838380.06
    ACD/KOC (pH 7.4): 604739.75
    Polar Surface Area: 20 Å2
    Polarizability: 47.6±0.5 10-24cm3
    Surface Tension: 38.2±5.0 dyne/cm
    Molar Volume: 391.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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