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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

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 Formula	C₆H₁₆CaO₁₂
Molecular Weight	320.26 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Exact Mass	320.0267668 g/mol
Monoisotopic Mass	320.0267668 g/mol
Topological Polar Surface Area	165 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	191
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	6