CAS 80876-58-0

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Also known as: 2,3,4,5-tetrahydroxyhexanedioic acid, Schleimsaure, Galactaric acid, d-, Galactaric-acid-, Nsc8127, 2,3,4,5-tetrahydroxyadipic acid

Molecular Formula

C₆H₁₀O₈

Molecular Weight

210.14 g/mol

InChI Key

DSLZVSRJTYRBFB-UHFFFAOYSA-N

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

CAS 80876-58-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3,4,5-tetrahydroxyhexanedioic acid

2.1.2 InChI

InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)

2.1.3 InChI Key

DSLZVSRJTYRBFB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O

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

2.2.2 Depositor-Supplied Synonyms

1. 2,3,4,5-tetrahydroxyhexanedioic Acid

2. Schleimsaure

3. Galactaric Acid, D-

4. Galactaric-acid-

5. Nsc8127

6. 2,3,4,5-tetrahydroxyadipic Acid

7. 80876-58-0

8. Nsc-8127

9. Ncgc00096080-01

10. D-galactaric Acid #

11. Spectrum_000129

12. Specplus_000412

13. Wln: Qvyqyqyqyqvq

14. Spectrum2_001454

15. Spectrum4_001910

16. Spectrum5_000600

17. Schembl5497

18. Glucaric Acid;saccharic Acid

19. Kbiogr_002506

20. Kbioss_000589

21. Divk1c_006508

22. Spectrum1501211

23. Spbio_001347

24. Kbio1_001452

25. Kbio2_000589

26. Kbio2_003157

27. Kbio2_005725

28. Bcp29834

29. Ccg-38868

30. Akos024386337

31. Sb45456

32. Sdccgmls-0066970.p001

33. Ls-13158

34. Nci60_000682

35. Wurcs=2.0/1,1,0/[axxxxa]/1/

36. Db-015672

37. Ft-0626588

38. Ft-0670273

39. Ft-0690188

40. Sr-05000002451

41. Sr-05000002451-1

42. A9c2b0b4-d17a-489a-a900-65ffae0f00b6

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₈
Molecular Weight	210.14 g/mol
XLogP3	-2.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	210.03756727 g/mol
Monoisotopic Mass	210.03756727 g/mol
Topological Polar Surface Area	156 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1