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  • NSC617792,NSC617796, 2-(1H-imidazol-2-ylsulfanyl)oxane-3,4,5-triol,Can
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC617792
    NSC617796

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight232.25688 [g/mol]
    Molecular FormulaC8H12N2O4S
    XLogP-1.4
    H-Bond Donor4
    H-Bond Acceptor6
    Rotatable Bond Count2
    Exact Mass232.051778
    MonoIsotopic Mass232.051778
    Topological Polar Surface Area98.6
    Heavy Atom Count15
    Formal Charge0
    Complexity221
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count4
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-(1H-imidazol-2-ylsulfanyl)oxane-3,4,5-triol
    Canonical SMILES: C1C(C(C(C(O1)SC2=NC=CN2)O)O)O
    InChI: InChI=1/C8H12N2O4S/c11-4-3-14-7(6(13)5(4)12)15-8-9-1-2-10-8/h1-2,4-7,
    11-13H,3H2,(H,9,10)/f/h9H

    ChemDrug版权识别码:6818445122152266
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