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Chemistry

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Also known as: 5793-89-5, Calcium saccharate, Calcium saccharate tetrahydrate, D-saccharic acid calcium salt tetrahydrate, 6ap9j91k4v, 5793-89-5 (calcium hydrate)
Molecular Formula
C6H16CaO12
Molecular Weight
320.26  g/mol
InChI Key
ZQWFSIZRQANUDA-WQMSYZFBSA-L
FDA UNII
6AP9J91K4V

Calcium Saccharate API
A sugar acid derived from D-glucose in which both the aldehydic carbon atom and the carbon atom bearing the primary hydroxyl group are oxidized to carboxylic acid groups.
1 2D Structure

Calcium Saccharate API

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrate
2.1.2 InChI
InChI=1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
2.1.3 InChI Key
ZQWFSIZRQANUDA-WQMSYZFBSA-L
2.1.4 Canonical SMILES
C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]
2.1.5 Isomeric SMILES
[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.O.O.O.O.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
6AP9J91K4V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Acid, Saccharic

2. Anhydrous Calcium Glucarate

3. Anhydrous Calcium Saccharate

4. Calcium Glucarate

5. Calcium Glucarate, Anhydrous

6. Calcium Saccharate

7. Calcium Saccharate Anhydrous

8. Calcium Saccharate Tetrahydrate

9. Calcium Saccharate, Anhydrous

10. D Glucaric Acid

11. D Saccharic Acid

12. D-glucaric Acid

13. D-saccharic Acid

14. Glucarate, Anhydrous Calcium

15. Glucarate, Calcium

16. Glucaric Acid

17. Glucosaccharic Acid

18. L Gularic Acid

19. L-gularic Acid

20. Levo Gularic Acid

21. Levo-gularic Acid

22. Saccharate Tetrahydrate, Calcium

23. Saccharate, Anhydrous Calcium

24. Saccharate, Calcium

25. Saccharic Acid

26. Tetrahydrate, Calcium Saccharate

27. Tetrahydroxyadipic Acid

2.3.2 Depositor-Supplied Synonyms

1. 5793-89-5

2. Calcium Saccharate

3. Calcium Saccharate Tetrahydrate

4. D-saccharic Acid Calcium Salt Tetrahydrate

5. 6ap9j91k4v

6. 5793-89-5 (calcium Hydrate)

7. Calcium (2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanedioate Tetrahydrate

8. Calcium D-glucarate (1:1), Tetrahydrate

9. Calcium D-glucarate Tetrahydrate

10. Calcium Saccharat-4-wasser

11. Unii-6ap9j91k4v

12. Calcium Saccharate [usan:usp:inn]

13. Glucaric

14. Calcium Saccharate (usp)

15. Dtxsid70206633

16. Calcium Saccharate [usp-rs]

17. Mfcd00150704

18. Akos027382576

19. Calcium D-saccharate Tetrahydrate, 98%

20. As-83024

21. Calcium D-saccharate, Tetrahydrate

22. Calcium Saccharate [usp Monograph]

23. D03307

24. Calcium Saccharate Tetrahydrate [who-dd]

25. D-glucaric Acid Calcium Salt Tetrahydrate

26. D-glucaric Acid, Calcium Salt (1:1) Tetrahydrate

27. Q27264421

28. D-glucaric Acid, Calcium Salt (1:1 Tetrahydrate

29. Calcium;(2s,3s,4s,5r)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrate

2.4 Create Date
2006-11-22
3 Chemical and Physical Properties
Molecular Weight 320.26 g/mol
Molecular Formula C6H16CaO12
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass320.0267668 g/mol
Monoisotopic Mass320.0267668 g/mol
Topological Polar Surface Area165 Ų
Heavy Atom Count19
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count6

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