ChemSpider 2D Image | (5Z,7E)-9,10-Secocholesta-3,5,7,10-tetraen-25-ol | C27H42O

(5Z,7E)-9,10-Secocholesta-3,5,7,10-tetraen-25-ol

  • Molecular FormulaC27H42O
  • Average mass382.622 Da
  • Monoisotopic mass382.323578 Da
  • ChemSpider ID48058108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,7E)-9,10-Secocholesta-3,5,7,10-tetraen-25-ol [German] [ACD/IUPAC Name]
(5Z,7E)-9,10-Secocholesta-3,5,7,10-tetraen-25-ol [ACD/IUPAC Name]
(5Z,7E)-9,10-Sécocholesta-3,5,7,10-tétraén-25-ol [French] [ACD/IUPAC Name]
1H-Indene-1-pentanol, octahydro-α,α,ε,7a-tetramethyl-4-[(2Z)-2-(6-methylene-2-cyclohexen-1-ylidene)ethylidene]-, (εR,1R,3aS,4E,7aR)- [ACD/Index Name]
(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-(6-methylidenecyclohex-2-en-1-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
106361-90-4 [RN]
3-Dehydroxy-3-ene-25-ol Vitamin D3

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 498.8±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±6.0 kJ/mol
    Flash Point: 152.9±16.4 °C
    Index of Refraction: 1.535
    Molar Refractivity: 121.2±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.97
    ACD/LogD (pH 5.5): 7.99
    ACD/BCF (pH 5.5): 700530.50
    ACD/KOC (pH 5.5): 531773.38
    ACD/LogD (pH 7.4): 7.99
    ACD/BCF (pH 7.4): 700530.50
    ACD/KOC (pH 7.4): 531773.38
    Polar Surface Area: 20 Å2
    Polarizability: 48.1±0.5 10-24cm3
    Surface Tension: 38.1±5.0 dyne/cm
    Molar Volume: 389.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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