ChemSpider 2D Image | Methyl N-[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-L-alaninate | C22H29NO7

Methyl N-[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-L-alaninate

  • Molecular FormulaC22H29NO7
  • Average mass419.468 Da
  • Monoisotopic mass419.194397 Da
  • ChemSpider ID32512318

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[(4E)-6-(1,3-dihydro-4,6-dimethoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-1-oxo-4-hexen-1-yl]-, methyl ester [ACD/Index Name]
Methyl N-[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-L-alaninate [ACD/IUPAC Name]
Methyl-N-[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-L-alaninat [German] [ACD/IUPAC Name]
N-[(4E)-6-(4,6-Diméthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexenoyl]-L-alaninate de méthyle [French] [ACD/IUPAC Name]
methyl (2S)-2-[[(E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]propanoate
methyl N-[(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-L-alaninate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 651.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.0±3.0 kJ/mol
    Flash Point: 347.7±31.5 °C
    Index of Refraction: 1.533
    Molar Refractivity: 110.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 85.71
    ACD/KOC (pH 5.5): 841.93
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 85.71
    ACD/KOC (pH 7.4): 841.93
    Polar Surface Area: 100 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 43.8±3.0 dyne/cm
    Molar Volume: 354.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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