Glucuronic Acid

Synopsis, Chemistry

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Also known as: D-glca, D-glucopyranuronate, D-glucopyranuronic acid, D-glucuronate, Glca, Glucopyranuronate

Molecular Formula

C₆H₁₀O₇

Molecular Weight

194.14 g/mol

InChI Key

AEMOLEFTQBMNLQ-AQKNRBDQSA-N

Glucuronic acid is a metabolite found in the aging mouse brain.

1 2D Structure

Glucuronic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

2.1.2 InChI

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1

2.1.3 InChI Key

AEMOLEFTQBMNLQ-AQKNRBDQSA-N

2.1.4 Canonical SMILES

C1(C(C(OC(C1O)O)C(=O)O)O)O

2.1.5 Isomeric SMILES

[C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. D-glca

2. D-glucopyranuronate

3. D-glucopyranuronic Acid

4. D-glucuronate

5. Glca

6. Glucopyranuronate

7. Glucopyranuronic Acid

8. Glucuronate

9. Glucuronic Acid

10. 528-16-5

11. Chebi:47952

12. (2s,3s,4s,5r)-3,4,5,6-tetrahydroxyoxane-2-carboxylic Acid

13. D-glucopyranuronicacid

14. Einecs 208-429-7

15. Maybridge1_004154

16. Bmse000140

17. Epitope Id:115136

18. Schembl30411

19. Chembl496672

20. Hms553e20

21. Dtxsid50894097

22. Nsc 165

23. Ccg-49770

24. Akos015955920

25. Ncgc00496851-01

26. C00191

27. Sr-01000639202-1

28. O_full_00000000001000_gs_791

29. Wurcs=2.0/1,1,0/[a2122a-1x_1-5]/1/

30. (2s,3s,4s,5r)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic Acid

31. (2s,3s,4s,5r)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic Acid

32. 72121-88-1

33. D-glucopyranuronic Acid, Polymer With 6-deoxy-l-mannose, D-glucose And D-mannose, Calcium Potassium Sodium Salt

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₇
Molecular Weight	194.14 g/mol
XLogP3	-2.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	194.04265265 g/mol
Monoisotopic Mass	194.04265265 g/mol
Topological Polar Surface Area	127 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1