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  • CA-Aota ,N,N-Diacetylhomotaurine ,Calcium diacetylhomotaurine ,Calcium
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    CA-Aota
    N,N-Diacetylhomotaurine
    Calcium diacetylhomotaurine
    Calcium bis-acetyl homotaurine
    Glycine, N-(carboxymethyl)-N-(3-sulfopropyl)-
    134152-15-1

    [Structure]
    CA-Aota ,N,N-Diacetylhomotaurine ,Calcium diacetylhomotaurine ,Calcium

    [ Properties Computed from Structure]
    Molecular Weight255.24562 [g/mol]
    Molecular FormulaC7H13NO7S
    XLogP-2
    H-Bond Donor3
    H-Bond Acceptor8
    Rotatable Bond Count8
    Exact Mass255.041272
    MonoIsotopic Mass255.041272
    Topological Polar Surface Area132
    Heavy Atom Count16
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-(carboxymethyl-(3-sulfopropyl)amino)acetic acid
    Canonical SMILES: C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O
    InChI: InChI=1/C7H13NO7S/c9-6(10)4-8(5-7(11)12)2-1-3-16(13,14)15/h1-5H2,(H,9,
    10)(H,11,12)(H,13,14,15)/f/h9,11,13H

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