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Technical details about Polygalacturonic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Alpha-d-galacturonic acid, Galacturonan, Galacturonate, Calcium pectate, Sodium pectate, Calcium polygalacturonate
Molecular Formula
C6H10O7
Molecular Weight
194.14  g/mol
InChI Key
AEMOLEFTQBMNLQ-BKBMJHBISA-N
FDA UNII
CEP8I6411H

galacturonic acid, D- is a natural product found in Primula veris with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3R,4S,5R,6S)-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-BKBMJHBISA-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](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
CEP8I6411H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Calcium Pectate

2. Calcium Polygalacturonate

3. Galacturonan

4. Homogalacturonan

5. Pectate

6. Pectic Acid

7. Polygalacturonic Acid

8. Polygalacturonic Acid Homopolymer

9. Polygalacturonic Acid, Aluminum Salt

10. Polygalacturonic Acid, Calcium Salt

11. Polygalacturonic Acid, Homopolymer (d)-isomer

12. Polygalacturonic Acid, Homopolymer Sodium Salt

13. Polygalacturonic Acid, Sulfated

14. Sodium Pectate

15. Sodium Polygalacturonate

2.3.2 Depositor-Supplied Synonyms

1. Alpha-d-galacturonic Acid

2. Galacturonan

3. Galacturonate

4. Calcium Pectate

5. Sodium Pectate

6. Calcium Polygalacturonate

7. Pectate

8. D-galacturonan

9. 6294-16-2

10. Sulfated Polygalacturonic Acid

11. Polygalacturonic Acid

12. Nsc-9248

13. Cep8i6411h

14. .alpha.-d-galactopyranuronic Acid

15. Galactopyranuronic Acid, .alpha.-d-

16. (2s,3r,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-carboxylic Acid

17. Poly(1,4-alpha-d-galacturonate)

18. .alpha.-d-galacturonic Acid

19. Pectina

20. Pectinas

21. Pectine

22. Pectines

23. Unii-cep8i6411h

24. Pectins

25. Pektine

26. Pektin

27. Pectic Substance

28. Delta-galacturonan

29. Galactopyranuronic Acid, Alpha-d-

30. Delta-galacturonate

31. 25990-10-7

32. 9046-38-2

33. Delta-galacturonic Acid

34. Alpha-d-galacturonic Acid Hydrate

35. Bmse000228

36. D-galacturonic Acid (9ci)

37. Alpha-delta-galacturonic Acid

38. Galacturonic Acid, D- (8ci)

39. Schembl12468784

40. Alpha-delta-polygalacturonic Acid

41. Chebi:15446

42. Chebi:17309

43. Chebi:33885

44. Dtxsid60873878

45. Poly[(1->4)-alpha-d-galpa]

46. Poly(1,4-alpha-d-galacturonide)

47. Alpha-delta-galactopyranuronic Acid

48. (1,4-alpha-d-galacturonosyl)n+1

49. (2s,3r,4s,5r,6s)-3,4,5,6-tetrahydroxyoxane-2-carboxylic Acid

50. Zinc4228259

51. Mfcd00071585

52. Poly(1,4-alpha-delta-galacturonate)

53. Db03511

54. D-galacturonic Acid .alpha.-form

55. G0010

56. D-galacturonic Acid .alpha.-form [mi]

57. Q27094449

58. Wurcs=2.0/1,1,0/[a2112a-1a_1-5]/1/

59. (2s,3r,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-carboxylicacid

60. .alpha.-d-galacturonic Acid (constituent Of Cranberry Liquid Preparation) [dsc]

61. Alpha-d-galacturonic Acid; D-galacturonic Acid; Galacturonic Acid; Alpha D-galacturonic Acid

2.4 Create Date
2005-06-01
3 Chemical and Physical Properties
Molecular Weight 194.14 g/mol
Molecular Formula C6H10O7
XLogP3-2.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass194.04265265 g/mol
Monoisotopic Mass194.04265265 g/mol
Topological Polar Surface Area127 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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