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    Zinc Gluconate API

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Zinc dihexonate, D-gluconic acid zinc (ii) salt, Gluconic acid zinc (ii) salt, Dtxsid001002491, Ft-0659318, Zinc, bis(d-gluconato-.kappa.o1,.kappa.o2)-, (t-4)-
    Molecular Formula
    C12H22O14Zn
    Molecular Weight
    455.7  g/mol
    InChI Key
    WHMDKBIGKVEYHS-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    zinc;2,3,4,5,6-pentahydroxyhexanoate
    2.1.2 InChI
    InChI=1S/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
    2.1.3 InChI Key
    WHMDKBIGKVEYHS-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Zn+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Zinc Dihexonate

    2. D-gluconic Acid Zinc (ii) Salt

    3. Gluconic Acid Zinc (ii) Salt

    4. Dtxsid001002491

    5. Ft-0659318

    6. Zinc, Bis(d-gluconato-.kappa.o1,.kappa.o2)-, (t-4)-

    7. 82139-35-3

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 455.7 g/mol
    Molecular Formula C12H22O14Zn
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count8
    Exact Mass454.030097 g/mol
    Monoisotopic Mass454.030097 g/mol
    Topological Polar Surface Area283 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity165
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3