MolPort-001-792-475

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Also known as: D-glucurono-3,6-lactone, D-glucurono-6,3-lactone, 32449-92-6, Glucurolactone, D-glucuronic acid lactone, Glucurone

Molecular Formula

C₆H₈O₆

Molecular Weight

176.12 g/mol

InChI Key

UYUXSRADSPPKRZ-SKNVOMKLSA-N

FDA UNII

XE4Y3016M9

glucuronolactone is a natural product found in Paraburkholderia, Arabidopsis thaliana, and other organisms with data available.

1 2D Structure

MolPort-001-792-475

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde

2.1.2 InChI

InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1

2.1.3 InChI Key

UYUXSRADSPPKRZ-SKNVOMKLSA-N

2.1.4 Canonical SMILES

C(=O)C(C1C(C(C(=O)O1)O)O)O

2.1.5 Isomeric SMILES

C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O

2.2 Other Identifiers

2.2.1 UNII

XE4Y3016M9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Glucuronic Acid, Gamma-lactone

2. Glucuronolactone, 6-(14)c-labeled

2.3.2 Depositor-Supplied Synonyms

1. D-glucurono-3,6-lactone

2. D-glucurono-6,3-lactone

3. 32449-92-6

4. Glucurolactone

5. D-glucuronic Acid Lactone

6. Glucurone

7. D(+)-glucurono-3,6-lactone

8. Glucurono-6,3-lactone

9. Glucuronosan

10. Guronsan

11. D-glucuronic Acid, G-lactone

12. Glucurolactone [inn]

13. D-glucofuranuronic Acid, Gamma-lactone

14. Glucuronolactone [jan]

15. Nsc 656

16. Dicurone

17. Glucuron

18. Gluronsan

19. Glucuronic Acid Lactone

20. Xe4y3016m9

21. Reulatt S.s.

22. Glucurolactone (inn)

23. Glucuronolactone (jan)

24. (2r)-2-[(2s,3r,4s)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde

25. Glucuronic Acid-3,6-lactone

26. 6814-06-8

27. Glucurolactonum

28. Glucurolactona

29. Glucuronolattone

30. Glucuronolattone [dcit]

31. Gamma-glukurolakton

32. Gamma-glukurolakton [czech]

33. Glucurolactonum [inn-latin]

34. Glucurolactona [inn-spanish]

35. D-(+)-glucuronolactone

36. Einecs 251-053-3

37. Brn 0083595

38. Nsc-656

39. Unii-xe4y3016m9

40. D-glucuronic Acid, Gamma-lactone

41. D(+)-glucuronolactone

42. D-glucurono-1,4-lactone

43. D-glucuronicacid,g-lactone

44. Schembl28793

45. 5-18-05-00033 (beilstein Handbook Reference)

46. D(+)-glucurono-6,3-lactone

47. Glucurolactone [mart.]

48. Glucuronolactone [inci]

49. D-glucuronic Acid-gamma-lactone

50. D-glucuronolactone [mi]

51. Glucurolactone [who-dd]

52. Chebi:18268

53. D-glucofuranuronate Gamma-lactone

54. Amy8977

55. D(+)glucoronic Acid Gamma-lactone

56. Bcp09805

57. D(+)-glucuronic Acid-gamma-lactone

58. Zinc5828187

59. D(+)-glucuronic Acid Gamma-lactone

60. Akos006341990

61. Ks-1361

62. (r)-2-((2s,3r,4s)-3,4-dihydroxy-5-oxotetrahydrofuran-2-yl)-2-hydroxyacetaldehyde

63. Hy-41982

64. Cs-0019952

65. C02670

66. D-(+)-glucuronic Acid Gamma-lactone, >=99%

67. D01800

68. D70547

69. .gamma-lactone Of D-glucofuranuronic Acid

70. Q28529701

71. D-(+)-glucuronic Acid Gamma-lactone, Analytical Standard

72. Wurcs=2.0/1,1,0/[o2122a_3-6]/1/

73. 00ce759f-d1f9-492e-89f7-b7400a34c72d

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₈O₆
Molecular Weight	176.12 g/mol
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	176.03208797 g/mol
Monoisotopic Mass	176.03208797 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	202
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	1