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

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

  • Molecular FormulaC25H20O10
  • Average mass480.420 Da
  • Monoisotopic mass480.105652 Da
  • ChemSpider ID29771281

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-hydroxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-β-(4-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-(4-hydroxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-hydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574485-57-6 [RN]
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(4-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: 771.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.3±3.0 kJ/mol
    Flash Point: 266.4±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): 2.70
    ACD/BCF (pH 5.5): 64.46
    ACD/KOC (pH 5.5): 664.72
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 6.03
    ACD/KOC (pH 7.4): 62.19
    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


    Advertisement