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Zinc Gluconate API
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

Zinc Gluconate API

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
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