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

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$ API Ref.Price (USD/KG) : 292Xls
2D Structure
Also known as: 96-82-2, 4-o-beta-d-galactopyranosyl-d-gluconic acid, 4-(beta-d-galactosido)-d-gluconic acid, Chebi:55481, 65r938s4dv, Lactobionate
Molecular Formula
C12H22O12
Molecular Weight
358.30  g/mol
InChI Key
JYTUSYBCFIZPBE-AMTLMPIISA-N
FDA UNII
65R938S4DV

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
2.1.2 InChI
InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1
2.1.3 InChI Key
JYTUSYBCFIZPBE-AMTLMPIISA-N
2.1.4 Canonical SMILES
C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O
2.1.5 Isomeric SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
65R938S4DV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Calcium Lactobionate Anhydrous

2. Copper Lactobionate

3. Ferric Lactobionate

4. Lactobionate

5. Lactobionic Acid, Calcium Salt (2:1)

6. Lactobionic Acid, Monosodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 96-82-2

2. 4-o-beta-d-galactopyranosyl-d-gluconic Acid

3. 4-(beta-d-galactosido)-d-gluconic Acid

4. Chebi:55481

5. 65r938s4dv

6. Lactobionate

7. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic Acid

8. Dsstox_cid_28787

9. Dsstox_rid_83056

10. Dsstox_gsid_48861

11. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic Acid

12. Mfcd00078147

13. Unii-65r938s4dv

14. Maltobionic-acid

15. Cas-96-82-2

16. Ncgc00016356-01

17. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)hexanoic Acid

18. Prestwick_560

19. Einecs 202-538-3

20. Lactobionic Acid, Purum

21. Lactobionic Acid, 97%

22. 110638-68-1

23. Prestwick0_000452

24. Prestwick1_000452

25. Prestwick2_000452

26. Prestwick3_000452

27. D-gluconic Acid, 4-o-b-d-galactopyranosyl-

28. D-gluconic Acid, 4-o-.beta.-d-galactopyranosyl-

29. Schembl24870

30. Bspbio_000524

31. Lactobionic Acid [ii]

32. Lactobionic Acid [mi]

33. Spbio_002463

34. Bpbio1_000578

35. Lactobionic Acid [inci]

36. Chembl3039602

37. Dtxsid3048861

38. Lactobionic Acid [mart.]

39. Lactobionic Acid [usp-rs]

40. Lactobionic Acid [who-dd]

41. Hms1569k06

42. Hms2096k06

43. Amy32686

44. Hy-n7059

45. Zinc4215172

46. 96-82-2, Cgmp

47. Methyl (r)-(-)-2-chloromandelate

48. Tox21_113353

49. S4964

50. Akos015896798

51. Akos015924795

52. Lactobionic Acid [ep Impurity]

53. Tox21_113353_1

54. Ccg-214227

55. Cs-w011829

56. Lactobionic Acid [ep Monograph]

57. Lactobionic Acid, Cell Impermeant Agent

58. Ncgc00179532-01

59. Ncgc00179532-03

60. 4-o-beta-galactopyranosyl-d-gluconic Acid

61. As-16070

62. L0005

63. D70310

64. 078l147

65. Q6138969

66. D0229170-c0ec-40fc-a777-bf34018eed2a

67. Lactobionic Acid, European Pharmacopoeia (ep) Reference Standard

68. Wurcs=2.0/2,2,1/[a2122h][a2112h-1b_1-5]/1-2/a4-b1

69. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)hexanoic Acid

70. 2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic Acid

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 358.30 g/mol
Molecular Formula C12H22O12
XLogP3-5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass358.11112613 g/mol
Monoisotopic Mass358.11112613 g/mol
Topological Polar Surface Area218 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1