ChemSpider 2D Image | Daidzein-d6 | C15H4D6O4

Daidzein-d6

  • Molecular FormulaC15H4D6O4
  • Average mass260.275 Da
  • Monoisotopic mass260.095581 Da
  • ChemSpider ID8762778

  • Non-standard isotope - Non-standard isotope

More details:

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

291759-05-2 [RN]
4H-1-Benzopyran-4-one-6,8-d2, 7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)- [ACD/Index Name]
7-Hydroxy-3-[4-hydroxy(2H4)phenyl](6,8-2H2)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-[4-hydroxy(2H4)phenyl](6,8-2H2)-4H-chromen-4-one [ACD/IUPAC Name]
7-Hydroxy-3-[4-hydroxy(2H4)phényl](6,8-2H2)-4H-chromén-4-one [French] [ACD/IUPAC Name]
Daidzein-d6
4H-1-Benzopyran-4-one-6,8-d2, 7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-
6,8-dideuterio-7-hydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 512.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 201.2±23.6 °C
    Index of Refraction: 1.699
    Molar Refractivity: 68.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.60
    ACD/KOC (pH 5.5): 882.49
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 28.45
    ACD/KOC (pH 7.4): 271.15
    Polar Surface Area: 67 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 68.2±3.0 dyne/cm
    Molar Volume: 176.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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