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  • [Synonyms]
    Buciclovir
    Bucyclovir
    Buciclovir [INN]
    Buciclovirum [Latin]
    DHBG-(R)
    (R)-9-(3,4-Dihydroxybutyl)guanine
    AIDS186620
    AIDS189235
    R-9-(3,4-Dihydroxybutyl)guanine
    AIDS-186620

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight239.23122 [g/mol]
    Molecular FormulaC9H13N5O3
    XLogP-1.3
    H-Bond Donor4
    H-Bond Acceptor7
    Rotatable Bond Count4
    Tautomer Count6
    Exact Mass239.101839
    MonoIsotopic Mass239.101839
    Topological Polar Surface Area126
    Heavy Atom Count17
    Formal Charge0
    Complexity335
    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: 2-amino-9-[(3R)-3,4-dihydroxybutyl]-3H-purin-6-one
    Canonical SMILES: C1=NC2=C(N1CCC(CO)O)NC(=NC2=O)N
    Isomeric SMILES: C1=NC2=C(N1CC[C@H](CO)O)NC(=NC2=O)N
    InChI: InChI=1/C9H13N5O3/c10-9-12-7-6(8(17)13-9)11-4-14(7)2-1-5(16)3-15/h4-5,
    15-16H,1-3H2,(H3,10,12,13,17)/t5-/m1/s1/f/h12H,10H2



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