ChemSpider 2D Image | N-[3-(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-L-methionine | C20H25NO7S

N-[3-(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-L-methionine

  • Molecular FormulaC20H25NO7S
  • Average mass423.480 Da
  • Monoisotopic mass423.135162 Da
  • ChemSpider ID22884031

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Methionine, N-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-1-oxopropyl]- [ACD/Index Name]
N-[3-(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-L-methionin [German] [ACD/IUPAC Name]
N-[3-(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-L-methionine [ACD/IUPAC Name]
N-[3-(7,8-Diméthoxy-4-méthyl-2-oxo-2H-chromén-3-yl)propanoyl]-L-méthionine [French] [ACD/IUPAC Name]
(2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid
1212346-53-6 [RN]
MCULE-2406090600
MolPort-005-911-230
STOCK1N-72391

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 711.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±3.0 kJ/mol
    Flash Point: 384.4±32.9 °C
    Index of Refraction: 1.563
    Molar Refractivity: 108.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.01
    ACD/LogD (pH 7.4): -1.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 136 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 332.6±3.0 cm3

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