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Technical details about Calcium Ascorbate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 5743-28-2, Calcium l-ascorbate dihydrate, Calcium ascorbate dihydrate, Calcium ascorbate (usp), Calcium ascorbate [usp], 183e4w213w
Molecular Formula
C12H18CaO14
Molecular Weight
426.34  g/mol
InChI Key
RGJHWLDSRIHFKY-FWCDDDAWSA-L
FDA UNII
183E4W213W

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate;dihydrate
2.1.2 InChI
InChI=1S/2C6H8O6.Ca.2H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;;/h2*2,5,7-10H,1H2;;2*1H2/q;;+2;;/p-2/t2*2-,5+;;;/m00.../s1
2.1.3 InChI Key
RGJHWLDSRIHFKY-FWCDDDAWSA-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.O.O.[Ca+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.O.O.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
183E4W213W
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ester C

2.3.2 Depositor-Supplied Synonyms

1. 5743-28-2

2. Calcium L-ascorbate Dihydrate

3. Calcium Ascorbate Dihydrate

4. Calcium Ascorbate (usp)

5. Calcium Ascorbate [usp]

6. 183e4w213w

7. Ester-c

8. Ins No.302

9. Calcium (r)-5-((s)-1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5h)-one Salt Dihydrate

10. Ins-302

11. Vitamin C (as Calcium Ascorbate)

12. Calcium Ascorbate [usan]

13. E-302

14. Unii-183e4w213w

15. Dsstox_cid_27687

16. Dsstox_rid_82503

17. Dsstox_gsid_47687

18. L-ascorbic Acid, Calcium Salt (2:1), Dihydrate

19. Calcium Ascorbate [ii]

20. Calcium Ascorbate [fcc]

21. Calcium Ascorbate [inci]

22. Chembl3184533

23. Dtxsid3047687

24. Calcium Ascorbate [vandf]

25. Calcium Ascorbate [usp-rs]

26. Tox21_303536

27. Acetic Acid, Calcium Salt, Dihydrate

28. Mfcd00149216

29. Calcium Ascorbate [ep Monograph]

30. Calcium Ascorbate [usp Monograph]

31. Ncgc00257476-01

32. E302

33. Cas-5743-28-2

34. Calcium Ascorbate Dihydrate [who-dd]

35. L(+)-ascorbicacidcalciumsaltdihydrate

36. D02293

37. Q283033

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

2.4 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 426.34 g/mol
Molecular Formula C12H18CaO14
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass426.0322461 g/mol
Monoisotopic Mass426.0322461 g/mol
Topological Polar Surface Area222 Ų
Heavy Atom Count27
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 Count5
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)


Vitamins

Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body. (See all compounds classified as Vitamins.)


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