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  • [Synonyms]
    Kanamycin-6''-uronic acid
    LS-146907
    Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-amino-3-deoxy-alpha-D-glucopyranuronosyl-(1-6))-2-deoxy-, trihydrochloride, D-
    28910-17-0

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight607.86498 [g/mol]
    Molecular FormulaC18H37Cl3N4O12
    H-Bond Donor14
    H-Bond Acceptor16
    Rotatable Bond Count6
    Exact Mass606.147356
    MonoIsotopic Mass606.147356
    Topological Polar Surface Area300
    Heavy Atom Count37
    Formal Charge0
    Complexity708
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count15
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count4

    [ Descriptors Computed from Structure]
    IUPAC Name: 4-amino-6-[4,6-diamino-3-[6-(aminomethyl)-3,4,
    5-trihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,
    5-dihydroxyoxane-2-carboxylic acid trihydrochloride
    Canonical SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)C(=O)O)O)N)O)N.Cl.
    Cl.Cl
    InChI: InChI=1/C18H34N4O12.3ClH/c19-2-5-7(23)10(26)11(27)18(31-5)33-14-4(21)1-3
    (20)13(12(14)28)32-17-9(25)6(22)8(24)15(34-17)16(29)30;;;/h3-15,17-18,
    23-28H,1-2,19-22H2,(H,29,30);3*1H/f/h29H;;;



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