ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-oxo-4H-chromen-3-yl)propanoate | C28H20O11

Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-oxo-4H-chromen-3-yl)propanoate

  • Molecular FormulaC28H20O11
  • Average mass532.452 Da
  • Monoisotopic mass532.100586 Da
  • ChemSpider ID30717781

More details:

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

3-[2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-4-oxo-4H-chromén-8-yl]-3-(4-oxo-4H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-propanoic acid, β-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-8-yl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-oxo-4H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-oxo-4H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1574377-35-7 [RN]
methyl 3-(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl)-3-(4-oxo-4H-chromen-3-yl)propanoate
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(4-oxochromen-3-yl)propanoate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 825.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.2±3.0 kJ/mol
    Flash Point: 279.9±27.8 °C
    Index of Refraction: 1.742
    Molar Refractivity: 131.7±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 99.06
    ACD/KOC (pH 5.5): 837.65
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 1.84
    ACD/KOC (pH 7.4): 15.54
    Polar Surface Area: 180 Å2
    Polarizability: 52.2±0.5 10-24cm3
    Surface Tension: 90.3±3.0 dyne/cm
    Molar Volume: 325.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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