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  • 5-Apas-utp ,5-((4-Azidophenacyl)thio)uridine 5'-triphosphate ,Urid
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    5-Apas-utp
    5-((4-Azidophenacyl)thio)uridine 5'-triphosphate
    Uridine 5'-(tetrahydrogen triphosphate), 5-((2-(4-azidophenyl)-2-oxoethyl)thio)-
    120853-61-4

    [Structure]
    5-Apas-utp ,5-((4-Azidophenacyl)thio)uridine 5'-triphosphate ,Urid

    [ Properties Computed from Structure]
    Molecular Weight675.350883 [g/mol]
    Molecular FormulaC17H20N5O16P3S
    H-Bond Donor7
    H-Bond Acceptor18
    Rotatable Bond Count13
    Tautomer Count6
    Exact Mass674.98386
    MonoIsotopic Mass674.98386
    Topological Polar Surface Area290
    Heavy Atom Count42
    Formal Charge0
    Complexity1300
    Isotope Atom Count0
    Defined Atom StereoCenter Count4
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [(2R,3S,4R,5R)-5-[5-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-2,
    4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl
    (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
    Canonical SMILES: C1=CC(=CC=C1C(=O)CSC2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)
    (O)O)O)O)N=[N+]=[N-]
    Isomeric SMILES: C1=CC(=CC=C1C(=O)CSC2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)O)O)N=[N+]=[N-]
    InChI: InChI=1/C17H20N5O16P3S/c18-21-20-9-3-1-8(2-4-9)10(23)7-42-12-5-22(17(27)
    19-15(12)26)16-14(25)13(24)11(36-16)6-35-40(31,32)38-41(33,34)37-39(28,
    29)30/h1-5,11,13-14,16,24-25H,6-7H2,(H,31,32)(H,33,34)(H,19,26,27)(H2,
    28,29,30)/t11-,13-,14-,16-/m1/s1/f/h19,28-29,31,33H

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