ChemSpider 2D Image | O-DESMETHYL MYCOPHENOLATE MOFETIL | C22H29NO7

O-DESMETHYL MYCOPHENOLATE MOFETIL

  • Molecular FormulaC22H29NO7
  • Average mass419.468 Da
  • Monoisotopic mass419.194397 Da
  • ChemSpider ID22546873

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-6-(4,6-Dihydroxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexénoate de 2-(4-morpholinyl)éthyle [French] [ACD/IUPAC Name]
1322681-36-6 [RN]
2-(4-Morpholinyl)ethyl (4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate [ACD/IUPAC Name]
2-(4-Morpholinyl)ethyl-(4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoat [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-(1,3-dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)- [ACD/Index Name]
O-DESMETHYL MYCOPHENOLATE MOFETIL
(E)-2-morpholinoethyl 6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
2-morpholin-4-ylethyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
missing
O-Desmethyl Mycophenolate Mofetil (Impurity A)

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

L8329PU63Z [DBID]
UNII:L8329PU63Z [DBID]
UNII-L8329PU63Z [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 650.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.4±3.0 kJ/mol
    Flash Point: 347.2±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 109.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 39.64
    ACD/KOC (pH 5.5): 324.04
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 138.11
    ACD/KOC (pH 7.4): 1129.02
    Polar Surface Area: 106 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 329.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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