Lactitol

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Also known as: 81025-04-9, D-lactitol monohydrate, Lactitol (monohydrate), Lactitol hydrate, 4-o-beta-d-galactopyranosyl-d-glucitol monohydrate, Uh2k6w1y64

Molecular Formula

C₁₂H₂₆O₁₂

Molecular Weight

362.33 g/mol

InChI Key

LXMBXZRLTPSWCR-XBLONOLSSA-N

FDA UNII

UH2K6W1Y64

1 2D Structure

Lactitol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol;hydrate

2.1.2 InChI

InChI=1S/C12H24O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h4-21H,1-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1

2.1.3 InChI Key

LXMBXZRLTPSWCR-XBLONOLSSA-N

2.1.4 Canonical SMILES

C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)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](CO)O)O)O)O)O)O.O

2.2 Other Identifiers

2.2.1 UNII

UH2K6W1Y64

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 81025-04-9

2. D-lactitol Monohydrate

3. Lactitol (monohydrate)

4. Lactitol Hydrate

5. 4-o-beta-d-galactopyranosyl-d-glucitol Monohydrate

6. Uh2k6w1y64

7. (2s,3r,4r,5r)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol;hydrate

8. Lactitol Hydrate (jan)

9. Lactitol Hydrate [jan]

10. D-glucitol, 4-o-beta-d-galactopyranosyl-, Hydrate (1:2)

11. Bli-400

12. Smr000499577

13. Nsc-759131

14. Pizensy

15. Unii-uh2k6w1y64

16. Portolac (tn)

17. (2s,3r,4r,5r)-4-(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol Hydrate

18. Dsstox_cid_27028

19. Dsstox_rid_82049

20. Dsstox_gsid_47028

21. Mls001076675

22. Mls001361361

23. Mls002207095

24. Schembl230581

25. D-glucitol, 4-o-beta-d-galactopyranosyl-, Monohydrate

26. D-lactitol Monohydrate, ~99%

27. Chembl1200429

28. Dtxsid6047028

29. Lactitol Monohydrate [ii]

30. Lactitol Monohydrate [mi]

31. Hms2231o06

32. Hy-b1389

33. Tox21_302283

34. Mfcd00150767

35. S5282

36. Lactitol Monohydrate [who-dd]

37. Ccg-268187

38. Cs-4859

39. Nsc 759131

40. Ncgc00256064-01

41. As-57306

42. Lactitol Monohydrate [ep Monograph]

43. Cas-81025-04-9

44. D02039

45. D70309

46. A864616

47. Q27291076

48. Lactitol, United States Pharmacopeia (usp) Reference Standard

49. D-glucitol, 4-o-.beta.-d-galactopyranosyl-, Monohydrate

50. Lactitol Monohydrate, European Pharmacopoeia (ep) Reference Standard

51. (2s,3r,4r,5r)-4-((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)hexane-1,2,3,5,6-pentaol Hydrate

52. (2s,3r,4r,5r)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol,hydrate

53. (2s,3r,4r,5r)-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol Hydrate

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₆O₁₂
Molecular Weight	362.33 g/mol
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	362.14242626 g/mol
Monoisotopic Mass	362.14242626 g/mol
Topological Polar Surface Area	202 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	343
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2