ChemSpider 2D Image | (3beta)-(25,26,26,26,27,27,27-~2~H_7_)Cholest-5-en-3-yl acetate | C29H41D7O2

(3β)-(25,26,26,26,27,27,27-2H7)Cholest-5-en-3-yl acetate

  • Molecular FormulaC29H41D7O2
  • Average mass435.733 Da
  • Monoisotopic mass435.409363 Da
  • ChemSpider ID48063670

  • defined stereocentres - 8 of 8 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)Cholest-5-en-3-yl acetate [ACD/IUPAC Name]
(3β)-(25,26,26,26,27,27,27-2H7)Cholest-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-(25,26,26,26,27,27,27-2H7)cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-en-25,26,26,26,27,27,27-d7-3-ol, acetate, (3β)- [ACD/Index Name]
1345629-08-4 [RN]
Cholesterol 3-Acetate-d7

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 493.3±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 248.8±10.4 °C
    Index of Refraction: 1.516
    Molar Refractivity: 129.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 10.70
    ACD/LogD (pH 5.5): 9.17
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 2316281.75
    ACD/LogD (pH 7.4): 9.17
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 2316281.75
    Polar Surface Area: 26 Å2
    Polarizability: 51.4±0.5 10-24cm3
    Surface Tension: 37.4±5.0 dyne/cm
    Molar Volume: 429.3±5.0 cm3

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