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    Trehalose API

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

    2D Structure

    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