ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(3-hydroxyphenyl)propanoate | C25H20O10

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

  • Molecular FormulaC25H20O10
  • Average mass480.420 Da
  • Monoisotopic mass480.105652 Da
  • ChemSpider ID29771980

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-(3-hydroxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-β-(3-hydroxyphenyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(3-hydroxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(3-hydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574495-01-4 [RN]
methyl 3-(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl)-3-(3-hydroxyphenyl)propanoate
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(3-hydroxyphenyl)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: 782.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 117.8±3.0 kJ/mol
    Flash Point: 270.1±26.4 °C
    Index of Refraction: 1.735
    Molar Refractivity: 120.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 63.58
    ACD/KOC (pH 5.5): 655.74
    ACD/LogD (pH 7.4): 1.62
    ACD/BCF (pH 7.4): 5.40
    ACD/KOC (pH 7.4): 55.70
    Polar Surface Area: 174 Å2
    Polarizability: 47.6±0.5 10-24cm3
    Surface Tension: 89.3±3.0 dyne/cm
    Molar Volume: 299.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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