ChemSpider 2D Image | N-[3-(3,4-Dimethoxyphenyl)-3-{[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}propanoyl]glycine | C27H30N2O9

N-[3-(3,4-Dimethoxyphenyl)-3-{[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}propanoyl]glycine

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID21772371

More details:

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

Glycine, N-[3-(3,4-dimethoxyphenyl)-3-[[3-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxopropyl]- [ACD/Index Name]
N-[3-(3,4-Dimethoxyphenyl)-3-{[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}propanoyl]glycin [German] [ACD/IUPAC Name]
N-[3-(3,4-Dimethoxyphenyl)-3-{[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}propanoyl]glycine [ACD/IUPAC Name]
N-[3-(3,4-Diméthoxyphényl)-3-{[3-(7-méthoxy-4-méthyl-2-oxo-2H-chromén-3-yl)propanoyl]amino}propanoyl]glycine [French] [ACD/IUPAC Name]
2-(3-(3,4-dimethoxyphenyl)-3-(3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)propanamido)acetic acid
2-[[3-(3,4-dimethoxyphenyl)-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoyl]amino]acetic acid
951951-30-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 864.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 131.7±3.0 kJ/mol
    Flash Point: 476.8±34.3 °C
    Index of Refraction: 1.573
    Molar Refractivity: 134.9±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.16
    ACD/LogD (pH 7.4): -1.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 149 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 409.6±3.0 cm3

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