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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

Saccharic Acid Calcium
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 Weight 248.20 g/mol
Molecular Formula C6H8CaO8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass247.9845081 g/mol
Monoisotopic Mass247.9845081 g/mol
Topological Polar Surface Area161 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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