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ACTIVE PHARMA INGREDIENTS

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Also known as: D-(+)-trehalose dihydrate, 6138-23-4, D-trehalose dihydrate, Alpha,alpha-trehalose dihydrate, A,a-trehalose, Trehalose, dihydrate

Molecular Formula

C₁₂H₂₆O₁₃

Molecular Weight

378.33 g/mol

InChI Key

DPVHGFAJLZWDOC-PVXXTIHASA-N

FDA UNII

7YIN7J07X4

1 2D Structure

Trehalose Dihydrate API

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate

2.1.2 InChI

InChI=1S/C12H22O11.2H2O/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12;;/h3-20H,1-2H2;2*1H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1

2.1.3 InChI Key

DPVHGFAJLZWDOC-PVXXTIHASA-N

2.1.4 Canonical SMILES

C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)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]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O.O.O

2.2 Other Identifiers

2.2.1 UNII

7YIN7J07X4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. D-(+)-trehalose Dihydrate

2. 6138-23-4

3. D-trehalose Dihydrate

4. Alpha,alpha-trehalose Dihydrate

5. A,a-trehalose

6. Trehalose, Dihydrate

7. 7yin7j07x4

8. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate

9. Mfcd00071594

10. (2r,2'r,3s,3's,4s,4's,5r,5'r,6r,6'r)-6,6'-oxybis(2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol) Dihydrate

11. Unii-7yin7j07x4

12. Alp,alp.-trehalose

13. Mycose Dihydrate

14. A,a-trehalose Dihydrate

15. Dextro-trehalose Dihydrate

16. Dsstox_cid_27948

17. Dsstox_rid_82700

18. Dsstox_gsid_47972

19. Schembl166078

20. Chembl3188936

21. Dtxsid3047972

22. Fema No. 4600

23. Trehalose Dihydrate [mi]

24. Alpha-d-glucopyranoside, Alpha-d-glucopyranosyl, Dihydrate

25. Trehalose Dihydrate, Cell Culture

26. Hms3885g16

27. Tox21_201106

28. Trehalose Dihydrate [who-dd]

29. A-d-glucopyranosyl-a-d-glucopyranoside

30. Akos016010526

31. Ccg-268385

32. Ncgc00258658-01

33. As-11785

34. Bp-20564

35. Trehalose Dihydrate [ep Monograph]

36. Cas-6138-23-4

37. D-(+)-trehalose Dihydrate, P.a., 99%

38. 2,2'-(1,6-hexanediyldioxy)bisbenzaldehyde

39. Alp.-d-glucopyranosyl-alp.-d-glucopyranoside

40. S3992

41. .alpha., .alpha.-trehalose Dihydrate

42. D70602

43. A833195

44. D-(+)-trehalose Dihydrate, From Starch, >=99%

45. D-trehalose Dihydrate 1000 Microg/ml In Acetonitrile

46. Q27269028

47. D-(+)-trehalose Dihydrate, For Microbiology, >=99.0%

48. D-(+)-trehalose Dihydrate, Saj Special Grade, >=99.0%

49. D-(+)-trehalose Dihydrate, Vetec(tm) Reagent Grade, >=99%

50. Trehalose, United States Pharmacopeia (usp) Reference Standard

51. .alpha.-d-glucopyranosyl-.alpha.-d-glucopyranoside Dihydrate

52. D-(+)-trehalose Dihydrate, From Saccharomyces Cerevisiae, >=99%

53. Trehalose Dihydrate, European Pharmacopoeia (ep) Reference Standard

54. D-(+)-trehalose Dihydrate, From Saccharomyces Cerevisiae, >=98.5% (hplc)

55. Trehalose, Pharmaceutical Secondary Standard; Certified Reference Material

56. D-(+)-trehalose Dihydrate (d-trehalose Dihydrate; Alpha,alpha-trehalose Dihydrate)

57. (2r,2'r,3s,3's,4s,4's,5r,5'r,6r,6'r)-6,6'-oxybis(2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol)dihydrate

58. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol

59. 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol Dihydrate

60. 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol Dihydrate;d-(+)-trehalose Dihydrate

61. D-(+)-trehalose Dihydrate, From Saccharomyces Cerevisiae, Bioreagent, Plant Cell Culture Tested

62. D-(+)-trehalose Dihydrate, From Saccharomyces Cerevisiae, Powder, Bioreagent, Suitable For Cell Culture, Suitable For Insect Cell Culture, >=99%

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₆O₁₃
Molecular Weight	378.33 g/mol
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	4
Exact Mass	378.13734088 g/mol
Monoisotopic Mass	378.13734088 g/mol
Topological Polar Surface Area	192 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3