ChemSpider 2D Image | MFCD22570234 | C27H37D7O

MFCD22570234

  • Molecular FormulaC27H37D7O
  • Average mass391.681 Da
  • Monoisotopic mass391.383148 Da
  • ChemSpider ID45852914

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β)-(25,26,26,26,27,27,27-2H7)Cholesta-5,7-dien-3-ol [German] [ACD/IUPAC Name]
(3β)-(25,26,26,26,27,27,27-2H7)Cholesta-5,7-dien-3-ol [ACD/IUPAC Name]
(3β)-(25,26,26,26,27,27,27-2H7)Cholesta-5,7-dién-3-ol [French] [ACD/IUPAC Name]
(3β)-Cholesta-5,7-dien-25,26,26,26,27,27,27-d7-3-ol
388622-58-0 [RN]
7-dehydro Cholesterol-d7
Cholesta-5,7-dien-25,26,26,26,27,27,27-d7-3-ol, (3β)- [ACD/Index Name]
MFCD22570234
(3β)-cholesta-5,7-dien-25,26,26,26,27,27,27-d7-3-ol
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 493.7±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.7±6.0 kJ/mol
    Flash Point: 212.3±17.9 °C
    Index of Refraction: 1.536
    Molar Refractivity: 119.7±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 9.46
    ACD/LogD (pH 5.5): 8.32
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 804358.00
    ACD/LogD (pH 7.4): 8.32
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 804358.00
    Polar Surface Area: 20 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 38.9±5.0 dyne/cm
    Molar Volume: 384.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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