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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Calcium saccharate, 5793-88-4, Saccharic acid calcium

Molecular Formula

C₆H₈CaO₈

Molecular Weight

248.20 g/mol

InChI Key

UGZVNIRNPPEDHM-SBBOJQDXSA-L

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

Saccharic Acid Calcium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate

2.1.2 InChI

InChI=1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2-,3-,4+;/m0./s1

2.1.3 InChI Key

UGZVNIRNPPEDHM-SBBOJQDXSA-L

2.1.4 Canonical SMILES

C(C(C(C(=O)[O-])O)O)(C(C(=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.[Ca+2]

2.2 Synonyms

2.2.1 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

2.2.2 Depositor-Supplied Synonyms

1. Calcium Saccharate

2. 5793-88-4

3. Saccharic Acid Calcium

2.3 Create Date

2009-07-21

3 Chemical and Physical Properties

Molecular Formula	C₆H₈CaO₈
Molecular Weight	248.20 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	247.9845081 g/mol
Monoisotopic Mass	247.9845081 g/mol
Topological Polar Surface Area	161 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	207
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	2