ChemSpider 2D Image | Methyl 3-(4-isopropoxy-3-methoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate | C29H28O9

Methyl 3-(4-isopropoxy-3-methoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

  • Molecular FormulaC29H28O9
  • Average mass520.527 Da
  • Monoisotopic mass520.173340 Da
  • ChemSpider ID30717391

More details:

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

3-(4-Isopropoxy-3-méthoxyphényl)-3-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 5,6,7-trihydroxy-β-[3-methoxy-4-(1-methylethoxy)phenyl]-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
Methyl 3-(4-isopropoxy-3-methoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-isopropoxy-3-methoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoat [German] [ACD/IUPAC Name]
1574392-96-3 [RN]
methyl 3-(3-methoxy-4-propan-2-yloxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 743.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.2±3.0 kJ/mol
    Flash Point: 246.2±26.4 °C
    Index of Refraction: 1.624
    Molar Refractivity: 137.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.47
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 2723.44
    ACD/KOC (pH 5.5): 9560.45
    ACD/LogD (pH 7.4): 3.71
    ACD/BCF (pH 7.4): 202.09
    ACD/KOC (pH 7.4): 709.41
    Polar Surface Area: 132 Å2
    Polarizability: 54.5±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 389.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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