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    Also known as: 2-amino-3-hydroxybutanoic acid, 80-68-2, 7004-04-8, Dl-2-amino-3-hydroxybutanoic acid, H-dl-allo-thr-oh, 144-98-9
    Molecular Formula
    C4H9NO3
    Molecular Weight
    119.12  g/mol
    InChI Key
    AYFVYJQAPQTCCC-UHFFFAOYSA-N
    FDA UNII
    760PJT2SS0
    Dl-Threonine
    1 2D Structure

    Dl-Threonine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-3-hydroxybutanoic acid
    2.1.2 InChI
    InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
    2.1.3 InChI Key
    AYFVYJQAPQTCCC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(C(=O)O)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    760PJT2SS0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-amino-3-hydroxybutanoic Acid

    2. 80-68-2

    3. 7004-04-8

    4. Dl-2-amino-3-hydroxybutanoic Acid

    5. H-dl-allo-thr-oh

    6. 144-98-9

    7. H-dl-thr-oh

    8. Dl-allothreonine

    9. 2-amino-3-hydroxy-butanoic Acid

    10. Dl-allo-threonine

    11. Allothreonine, D-

    12. 760pjt2ss0

    13. Chebi:38263

    14. Butanoic Acid, 2-amino-3-hydroxy-

    15. Wln: Qy1&yzvq -l

    16. Threonine #

    17. Allothreonine, L-

    18. Butanoic Acid, [r-(r*,s*)]-

    19. Allothreonine, Dl-

    20. 29nap6417f

    21. Theronine

    22. Laevo-threonine

    23. Nsc46701

    24. Mfcd00004526

    25. Mfcd00063722

    26. Mfcd00064268

    27. Mfcd00064269

    28. Nsc-41828

    29. Nsc-46702

    30. Nsc-206267

    31. Nsc-206283

    32. Nsc-206292

    33. Ncgc00164520-01

    34. Ncgc00164520-02

    35. Einecs 205-645-3

    36. Threonine,(l)

    37. Schembl1479

    38. Unii-760pjt2ss0

    39. 2-amino-3-hydroxybutanoicacid

    40. Chembl30037

    41. Unii-29nap6417f

    42. Dtxsid301015364

    43. Amy25310

    44. Bcp16820

    45. Nsc16589

    46. Nsc41828

    47. Nsc46702

    48. Bbl011585

    49. Mfcd00066665

    50. Nsc 41828

    51. Nsc206267

    52. Nsc206283

    53. Nsc206292

    54. Stl163323

    55. Akos000118925

    56. Akos016042347

    57. Butyric Acid, Alpha-amino-beta-hydroxy-

    58. As-14237

    59. Dl-threonine (contains Dl-allothreonine)

    60. Sy018620

    61. Sy020053

    62. Sy024226

    63. Sy026984

    64. L-threonine 2-amino-3-hydroxybutyric Acid

    65. Db-047492

    66. Db-054434

    67. A0214

    68. Cs-0154977

    69. Ft-0601219

    70. Ft-0604667

    71. Ft-0604670

    72. Ft-0624367

    73. Ft-0625423

    74. Ft-0625521

    75. Ft-0675201

    76. T0229

    77. T3105

    78. Thr

    79. A20656

    80. (2r,s),(3s,r)-2-amino-3-hydroxybutyric Acid

    81. 066a665

    82. 2-amino-3-hydroxybutanoic Acid (h-dl-xithr-oh)

    83. A808305

    84. Sr-01000944947

    85. J-008036

    86. Sr-01000944947-1

    87. Butyric Acid, .alpha.-amino-.beta.-hydroxy-

    88. F3ab6ce6-3cf9-4c81-a7d7-7c21f24fdc0e

    89. Q27117433

    90. Q60662943

    91. Z57127549

    92. F2191-0228

    93. 4-chloro-8-(trifluoromethyl)quinoline-3-carboxylicethylester

    94. (s)-threonine;l-alpha-amino-beta-hydroxybutyric Acid;l-threonin;threonin

    95. 36676-50-3

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 119.12 g/mol
    Molecular Formula C4H9NO3
    XLogP3-2.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass119.058243149 g/mol
    Monoisotopic Mass119.058243149 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity93.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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