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    Bekanamycin

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

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    2D Structure
    Also known as: Schembl18763323, Zinc77301567, Akos025311217, Ac-24197, As-11034, 696k768
    Molecular Formula
    C18H37N5O10
    Molecular Weight
    483.5  g/mol
    InChI Key
    SKKLOUVUUNMCJE-BNWSHAKYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
    2.1.2 InChI
    InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10-,11-,12-,13-,14-,15+,16-,17-,18-/m1/s1
    2.1.3 InChI Key
    SKKLOUVUUNMCJE-BNWSHAKYSA-N
    2.1.4 Canonical SMILES
    C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)N)N
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl18763323

    2. Zinc77301567

    3. Akos025311217

    4. Ac-24197

    5. As-11034

    6. 696k768

    7. (2r,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((1s,2r,3r,4s,6r)-4,6-diamino-3-((2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-2-hydroxycyclohexyloxy)tetrahydro-2h-pyran-3,4-diol

    2.3 Create Date
    2013-05-09
    3 Chemical and Physical Properties
    Molecular Weight 483.5 g/mol
    Molecular Formula C18H37N5O10
    XLogP3-7.2
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count6
    Exact Mass483.25404239 g/mol
    Monoisotopic Mass483.25404239 g/mol
    Topological Polar Surface Area288 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity639
    Isotope Atom Count0
    Defined Atom Stereocenter Count15
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1