1 2D Structure

2D Structure

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 Formula	C₁₂H₁₄O₁₂Zn
Molecular Weight	415.6 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	413.977668 g/mol
Monoisotopic Mass	413.977668 g/mol
Topological Polar Surface Area	220 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	232
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Zinc Ascorbate