ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate | C29H26O10

Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate

  • Molecular FormulaC29H26O10
  • Average mass534.511 Da
  • Monoisotopic mass534.152588 Da
  • ChemSpider ID30717106

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-[(2-méthyl-2-propén-1-yl)oxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-β-[4-[(2-methyl-2-propen-1-yl)oxy]phenyl]-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-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoat [German] [ACD/IUPAC Name]
1574345-20-2 [RN]
methyl 3-(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl)-3-(4-((2-methylallyl)oxy)phenyl)propanoate
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-[4-(2-methylprop-2-enoxy)phenyl]propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 772.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.4±3.0 kJ/mol
    Flash Point: 256.6±26.4 °C
    Index of Refraction: 1.673
    Molar Refractivity: 138.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 4.89
    ACD/LogD (pH 5.5): 4.24
    ACD/BCF (pH 5.5): 955.89
    ACD/KOC (pH 5.5): 4570.56
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 84.68
    ACD/KOC (pH 7.4): 404.90
    Polar Surface Area: 163 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 70.3±3.0 dyne/cm
    Molar Volume: 369.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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