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  • Hydroxymeprobamate [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] c
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    Hydroxymeprobamate
    [Structure]
    Hydroxymeprobamate [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] c

    [ Properties Computed from Structure]
    Molecular Weight234.24962 [g/mol]
    Molecular FormulaC9H18N2O5
    XLogP-0.7
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count8
    Tautomer Count3
    Exact Mass234.121572
    MonoIsotopic Mass234.121572
    Topological Polar Surface Area125
    Heavy Atom Count16
    Formal Charge0
    Complexity238
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate
    Canonical SMILES: CC(CC(C)(COC(=O)N)COC(=O)N)O
    InChI: InChI=1/C9H18N2O5/c1-6(12)3-9(2,4-15-7(10)13)5-16-8(11)14/h6,12H,3-5H2,
    1-2H3,(H2,10,13)(H2,11,14)/f/h10-11H2

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