ChemSpider 2D Image | (3beta,22E)-25-Hydroxycholesta-5,22-dien-3-yl acetate | C29H46O3

(3β,22E)-25-Hydroxycholesta-5,22-dien-3-yl acetate

  • Molecular FormulaC29H46O3
  • Average mass442.674 Da
  • Monoisotopic mass442.344696 Da
  • ChemSpider ID48063733

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,22E)-25-Hydroxycholesta-5,22-dien-3-yl acetate [ACD/IUPAC Name]
(3β,22E)-25-Hydroxycholesta-5,22-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,22E)-25-hydroxycholesta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
Cholesta-5,22-diene-3,25-diol, 3-acetate, (3β,22E)- [ACD/Index Name]
(3S,8S,9S,10R,13R,14S,17R)-17-((R,E)-6-hydroxy-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
157171-88-5 [RN]
22-Dehydro 25-Hydroxy Cholesterol 3-Acetate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 528.7±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 92.4±6.0 kJ/mol
    Flash Point: 195.6±18.2 °C
    Index of Refraction: 1.537
    Molar Refractivity: 131.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.19
    ACD/LogD (pH 5.5): 7.27
    ACD/BCF (pH 5.5): 197021.53
    ACD/KOC (pH 5.5): 214480.83
    ACD/LogD (pH 7.4): 7.27
    ACD/BCF (pH 7.4): 197021.53
    ACD/KOC (pH 7.4): 214480.83
    Polar Surface Area: 47 Å2
    Polarizability: 51.9±0.5 10-24cm3
    Surface Tension: 41.4±5.0 dyne/cm
    Molar Volume: 419.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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