ChemSpider 2D Image | (~2~H_3_)Methyl (4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate | C17H17D3O6

(2H3)Methyl (4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate

  • Molecular FormulaC17H17D3O6
  • Average mass323.356 Da
  • Monoisotopic mass323.144806 Da
  • ChemSpider ID48058184

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate [ACD/IUPAC Name]
(2H3)Methyl-(4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoat [German] [ACD/IUPAC Name]
(4E)-6-(4,6-Dihydroxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
4-Hexenoic acid, 6-(1,3-dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, methyl-d3 ester, (4E)- [ACD/Index Name]
1331670-20-2 [RN]
O-Desmethyl Mycophenolic Acid Methyl Ester-d3
trideuteriomethyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 544.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 198.9±23.6 °C
    Index of Refraction: 1.586
    Molar Refractivity: 83.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 3.40
    ACD/BCF (pH 5.5): 225.43
    ACD/KOC (pH 5.5): 1681.41
    ACD/LogD (pH 7.4): 3.34
    ACD/BCF (pH 7.4): 198.27
    ACD/KOC (pH 7.4): 1478.84
    Polar Surface Area: 93 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 248.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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