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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: D-gal, D-galactopyranose, D-galactopyranoside, Gal, Galactopyranose, Galactopyranoside

Molecular Formula

C₆H₁₂O₆

Molecular Weight

180.16 g/mol

InChI Key

WQZGKKKJIJFFOK-SVZMEOIVSA-N

galactose is a natural product found in Vigna subterranea, Lilium tenuifolium, and other organisms with data available.

1 2D Structure

D-Galactopyranose

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

2.1.2 InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1

2.1.3 InChI Key

WQZGKKKJIJFFOK-SVZMEOIVSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. D-gal

2. D-galactopyranose

3. D-galactopyranoside

4. Gal

5. Galactopyranose

6. Galactopyranoside

7. Galactose

8. 10257-28-0

9. (3r,4s,5r,6r)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

10. Chebi:4139

11. Cerebrose

12. (+)-galactose

13. D-glucose-2-13c

14. 40825-89-6

15. Smr000857326

16. Nsc-8102

17. Ncgc00159442-02

18. Einecs 233-595-2

19. D-galactose (9ci)

20. Dsstox_cid_3088

21. Galactose, D- (8ci)

22. Epitope Id:141794

23. D-(+)-galactose Anhydrous

24. Dsstox_rid_76869

25. Dsstox_gsid_23088

26. Schembl38935

27. Mls001335983

28. Mls001335984

29. Chembl195923

30. (3r,4s,5r,6r)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,3,4,5-tetraol

31. Bdbm228805

32. Dtxsid001015860

33. Hms2230n07

34. Nsc 8102

35. Tox21_111672

36. Mfcd00006969

37. S3849

38. Akos030573864

39. Ccg-266426

40. Cas-59-23-4

41. D-galactose Plant Origin (ex Peach Gum)

42. Ncgc00166082-01

43. As-46931

44. Cs-0204480

45. G0008

46. C00124

47. D-galactose 1000 Microg/ml In Methanol:water

48. F10950

49. G-1701

50. O_full_10000000000000_gs_94

51. Q27106307

52. (3r,4s,5r,6r)-6-methyloltetrahydropyran-2,3,4,5-tetrol

53. Wurcs=2.0/1,1,0/[a2112h-1x_1-5]/1/

2.3 Create Date

2005-06-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂O₆
Molecular Weight	180.16 g/mol
XLogP3	-2.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	180.06338810 g/mol
Monoisotopic Mass	180.06338810 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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

4 Pharmacology and Biochemistry

4.1 ATC Code

V - Various

V04 - Diagnostic agents

V04C - Other diagnostic agents

V04CE - Tests for liver functional capacity

V04CE01 - Galactose

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D-Galactopyranose

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