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  • Boc-L-serine,Boc-Ser-OH,N-(tert-Butoxycarbonyl)-L-serine,359696_ALDRIC
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Boc-L-serine
    Boc-Ser-OH
    N-(tert-Butoxycarbonyl)-L-serine
    359696_ALDRICH
    15500_FLUKA
    EINECS 221-867-3
    ST5307215
    3262-72-4

    [Structure]
    Boc-L-serine,Boc-Ser-OH,N-(tert-Butoxycarbonyl)-L-serine,359696_ALDRIC

    [ Properties Computed from Structure]
    Molecular Weight205.2084 [g/mol]
    Molecular FormulaC8H15NO5
    XLogP-2.2
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass205.095023
    MonoIsotopic Mass205.095023
    Topological Polar Surface Area95.9
    Heavy Atom Count14
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    Canonical SMILES: CC(C)(C)OC(=O)NC(CO)C(=O)O
    Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O
    InChI: InChI=1/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,
    9,13)(H,11,12)/t5-/m0/s1/f/h9,11H

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