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Chemistry

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Also known as: Zinc ascorbate [inci], Zinc ascorbate [who-dd], L-ascorbic acid, zinc salt, L-ascorbic acid, zinc salt (2:1), (-)-ascorbic acid, zinc salt, 9ti35313xw
Molecular Formula
C12H14O12Zn
Molecular Weight
415.6  g/mol
InChI Key
WWRJFSIRMWUMAE-ZZMNMWMASA-L
FDA UNII
9TI35313XW

Zinc Ascorbate
1 2D Structure

Zinc Ascorbate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
zinc;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate
2.1.2 InChI
InChI=1S/2C6H8O6.Zn/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1
2.1.3 InChI Key
WWRJFSIRMWUMAE-ZZMNMWMASA-L
2.1.4 Canonical SMILES
C(C(C1C(=C(C(=O)O1)[O-])O)O)O.C(C(C1C(=C(C(=O)O1)[O-])O)O)O.[Zn+2]
2.1.5 Isomeric SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.[Zn+2]
2.2 Other Identifiers
2.2.1 UNII
9TI35313XW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Zinc Ascorbate [inci]

2. Zinc Ascorbate [who-dd]

3. L-ascorbic Acid, Zinc Salt

4. L-ascorbic Acid, Zinc Salt (2:1)

5. (-)-ascorbic Acid, Zinc Salt

6. 9ti35313xw

7. 134343-96-7

8. 331242-75-2

9. Zinc;(2r)-2-[(1s)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2h-furan-4-olate

10. Unii-9ti35313xw

11. Db14485

12. Q27273198

2.4 Create Date
2015-04-16
3 Chemical and Physical Properties
Molecular Weight 415.6 g/mol
Molecular Formula C12H14O12Zn
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass413.977668 g/mol
Monoisotopic Mass413.977668 g/mol
Topological Polar Surface Area220 Ų
Heavy Atom Count25
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API Reference Price

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01-Jul-2021
19-Sep-2024
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