ChemSpider 2D Image | GENISTEIN-D4 | C15H6D4O5

GENISTEIN-D4

  • Molecular FormulaC15H6D4O5
  • Average mass274.262 Da
  • Monoisotopic mass274.077942 Da
  • ChemSpider ID9996451

  • Non-standard isotope - Non-standard isotope

More details:

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

187960-08-3 [RN]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)- [ACD/Index Name]
5,7-Dihydroxy-3-[4-hydroxy(2H4)phenyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-[4-hydroxy(2H4)phenyl]-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-[4-hydroxy(2H4)phényl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
GENISTEIN-D4
4',5,7-trihydroxyisoflavone
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-
5,7-dihydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 555.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.8±3.0 kJ/mol
    Flash Point: 217.1±23.6 °C
    Index of Refraction: 1.732
    Molar Refractivity: 69.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 51.63
    ACD/KOC (pH 5.5): 564.59
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 3.87
    ACD/KOC (pH 7.4): 42.32
    Polar Surface Area: 87 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 79.6±3.0 dyne/cm
    Molar Volume: 174.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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