ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate | C28H26O12

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

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID29771579

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-(2,3,4-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-β-(2,3,4-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574492-33-3 [RN]
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 784.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.2±3.0 kJ/mol
    Flash Point: 260.5±26.4 °C
    Index of Refraction: 1.664
    Molar Refractivity: 138.3±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 79.30
    ACD/KOC (pH 5.5): 761.00
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 5.50
    ACD/KOC (pH 7.4): 52.77
    Polar Surface Area: 181 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 70.6±3.0 dyne/cm
    Molar Volume: 373.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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