ChemSpider 2D Image | (3beta,5beta)-3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide | C25H33BrO7

(3β,5β)-3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC25H33BrO7
  • Average mass525.429 Da
  • Monoisotopic mass524.140930 Da
  • ChemSpider ID17467825

  • 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)-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-(2-Bromoacétoxy)-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2-bromoacetyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-bromoacetate
[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
4956-18-7 [RN]
Strophanthidin 3-bromoacetate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 653.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.3±6.0 kJ/mol
    Flash Point: 349.2±31.5 °C
    Index of Refraction: 1.609
    Molar Refractivity: 122.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.74
    ACD/KOC (pH 5.5): 202.90
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.74
    ACD/KOC (pH 7.4): 202.90
    Polar Surface Area: 110 Å2
    Polarizability: 48.4±0.5 10-24cm3
    Surface Tension: 62.7±5.0 dyne/cm
    Molar Volume: 352.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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