ChemSpider 2D Image | (3beta,5beta)-3-(2-Bromoacetoxy)-14-hydroxycard-20(22)-enolide | C25H35BrO5

(3β,5β)-3-(2-Bromoacetoxy)-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC25H35BrO5
  • Average mass495.446 Da
  • Monoisotopic mass494.166779 Da
  • ChemSpider ID29767082

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-3-(2-Bromacetoxy)-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-(2-Bromoacetoxy)-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-(2-Bromoacétoxy)-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2-bromoacetyl)oxy]-14-hydroxy-, (3β,5β)- [ACD/Index Name]
(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-bromoacetate
[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
31702-65-5 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 594.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.7±6.0 kJ/mol
    Flash Point: 313.5±30.1 °C
    Index of Refraction: 1.585
    Molar Refractivity: 120.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.35
    ACD/LogD (pH 5.5): 4.14
    ACD/BCF (pH 5.5): 818.49
    ACD/KOC (pH 5.5): 4233.85
    ACD/LogD (pH 7.4): 4.14
    ACD/BCF (pH 7.4): 818.49
    ACD/KOC (pH 7.4): 4233.85
    Polar Surface Area: 73 Å2
    Polarizability: 47.6±0.5 10-24cm3
    Surface Tension: 53.1±5.0 dyne/cm
    Molar Volume: 358.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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