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Chemistry

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Also known as: 99-20-7, D-trehalose, D-(+)-trehalose, Mycose, Alpha,alpha-trehalose, Ergot sugar
Molecular Formula
C12H22O11
Molecular Weight
342.30  g/mol
InChI Key
HDTRYLNUVZCQOY-LIZSDCNHSA-N
FDA UNII
B8WCK70T7I

Trehalose API
Trehalose is a metabolite found in or produced by Saccharomyces cerevisiae.
1 2D Structure

Trehalose 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
2.1.2 InChI
InChI=1S/C12H22O11/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/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
2.1.3 InChI Key
HDTRYLNUVZCQOY-LIZSDCNHSA-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
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
2.2 Other Identifiers
2.2.1 UNII
B8WCK70T7I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 99-20-7

2. D-trehalose

3. D-(+)-trehalose

4. Mycose

5. Alpha,alpha-trehalose

6. Ergot Sugar

7. Alpha-d-trehalose

8. Cabaletta

9. Mushroom Sugar

10. D-(+)-trehalose, Anhydrous

11. D-(+)-trehalose Anhydrous

12. Trehaose

13. Alpha-d-glucopyranosyl-alpha-d-glucopyranoside

14. Treha

15. Alpha-trehalose

16. Trehalose, Dihydrate

17. Natural Trehalose

18. Chebi:16551

19. Alpha,alpha'-trehalose

20. Alpha,alpha'-d-trehalose

21. Alpha-d-glucopyranoside, Alpha-d-glucopyranosyl

22. B8wck70t7i

23. Alpha-d-glucopyranosyl Alpha-d-glucopyranoside

24. Nsc-2093

25. (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)

26. (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

27. .alpha.,.alpha.-trehalose

28. Thealoz

29. Nsc 2093

30. Mfcd00006628

31. Tre

32. D(+)-trehalose

33. Trehalose, Alpha,alpha'-

34. Unii-b8wck70t7i

35. Trehalose [inn:ban:nf]

36. Trehalose P

37. D(+)trehalose

38. A-d-glucopyranoside

39. Trehalose (8ci)

40. Einecs 202-739-6

41. D-trehalose-anhydrous

42. Glc(a1-1a)glc

43. 2b1q

44. Trehalose [fcc]

45. .alpha.-d-glucopyranosyl-.alpha.-d-glucopyranoside

46. Delta-trehalose-anhydrous

47. Trehalose [mi]

48. Trehalose [inci]

49. Bmse000125

50. Bmse000815

51. Bmse000876

52. Schembl8739

53. Trehalose [usp-rs]

54. Trehalose [who-dd]

55. Chembl1236395

56. Dtxsid3048102

57. Chebi:140775

58. Hms3886n22

59. Hy-n1132

60. Zinc4095531

61. Bdbm50235450

62. S9348

63. A-d-glucopyranosyl A-d-glucopyranoside

64. Akos016010347

65. Am83982

66. Ccg-208048

67. Db12310

68. Alpha-d-glcp-(1<->1)-alpha-d-glcp

69. Smp1_000299

70. Alpha-d-glcp-(1↔1)-alpha-d-glcp

71. Ncgc00248923-01

72. As-10470

73. Cs-0016421

74. T0331

75. T0832

76. Alpha-d-glucopyranosyl-alpha-d-glucopyranoside.

77. C01083

78. F14769

79. A854452

80. Q421773

81. 1-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside

82. Alpha-d-glucopyranoside, A-d-glucopyranosyl (9ci)

83. Brd-k54028654-001-01-8

84. 1-[(1->4)-alpha-d-glucosyl]n-alpha-d-glucopyranoside

85. 695ee371-8df9-4915-942e-8b5ea4c7cf09

86. Wurcs=2.0/1,2,1/[a2122h-1a_1-5]/1-1/a1-b1

87. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 342.30 g/mol
Molecular Formula C12H22O11
XLogP3-4.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass342.11621151 g/mol
Monoisotopic Mass342.11621151 g/mol
Topological Polar Surface Area190 Ų
Heavy Atom Count23
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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BioSpectra

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

euroPLX 86 Munich
Not Confirmed
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BioSpectra

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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euroPLX 86 Munich
Not Confirmed
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CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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02

AVT (Shanghai)

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

euroPLX 86 Munich
Not Confirmed
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AVT (Shanghai)

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

arrow
euroPLX 86 Munich
Not Confirmed
USDMF arrow-down CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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