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    N-Acetylglucosamine

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Acetylglucosamine, N-acetyl-beta-d-glucosamine, N-acetylglucosamine, Beta-n-acetylglucosamine, Betaglcnac, Chebi:28009
    Molecular Formula
    C8H15NO6
    Molecular Weight
    221.21  g/mol
    InChI Key
    OVRNDRQMDRJTHS-FMDGEEDCSA-N
    FDA UNII
    8P59336F68
    The N-acetyl derivative of glucosamine.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
    2.1.2 InChI
    InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
    2.1.3 InChI Key
    OVRNDRQMDRJTHS-FMDGEEDCSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1C(C(C(OC1O)CO)O)O
    2.1.5 Isomeric SMILES
    CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    8P59336F68
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2 Acetamido 2 Deoxy D Glucose

    2. 2 Acetamido 2 Deoxyglucose

    3. 2-acetamido-2-deoxy-d-glucose

    4. 2-acetamido-2-deoxyglucose

    5. Acetylglucosamine

    6. N Acetyl D Glucosamine

    7. N-acetyl-d-glucosamine

    2.3.2 Depositor-Supplied Synonyms

    1. Acetylglucosamine

    2. N-acetyl-beta-d-glucosamine

    3. N-acetylglucosamine

    4. Beta-n-acetylglucosamine

    5. Betaglcnac

    6. Chebi:28009

    7. Glcnac-beta

    8. 14131-68-1

    9. 2-acetamido-2-deoxy-beta-d-glucosamine

    10. N-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

    11. 2-acetamido-2-deoxy-beta-d-glucose

    12. N-acetyl Glucosamine

    13. 103094-10-6

    14. 85409-09-2

    15. 8p59336f68

    16. 72-87-7

    17. 125304-10-1

    18. 137630-09-2

    19. 1398-61-4

    20. Nacglc

    21. Poly(oxy-1,2-ethanediyl), .alpha.-(carboxymethyl)-.omega.-(dinonylphenoxy)-, Branched

    22. Cheon Shim Bo Yun

    23. N-acetyl-b-d-glucosamine

    24. 2-acetamido-2-deoxyhexopyranose

    25. Hydrolyzed Chitin

    26. Pharmaceutical Aid

    27. Ssglcnac-r

    28. Crab Shell Chitin

    29. B-n-acetylglucosamine

    30. Beta-n-acetylglucosamin

    31. Spectrum_000999

    32. Spectrum2_001353

    33. Spectrum3_001400

    34. Spectrum4_001179

    35. B-n-acetyl-d-glucosamine

    36. Bmse000231

    37. Epitope Id:135813

    38. Beta-n-acetyl-d-glucosamine

    39. Schembl19345

    40. Bspbio_003020

    41. Kbiogr_001817

    42. Kbioss_001479

    43. Divk1c_000352

    44. Spectrum1500715

    45. N-acetyl-.beta.-d-glucosamine

    46. Spbio_001565

    47. Chembl447878

    48. Beta-n-acetyl-delta-glucosamine

    49. Schembl21358982

    50. Chebi:17029

    51. Hms501b14

    52. Kbio1_000352

    53. Kbio2_001479

    54. Kbio2_004047

    55. Kbio2_006615

    56. Kbio3_002240

    57. .beta.-n-acetylglucosamin

    58. [4)-beta-d-glcpnac(1->]n

    59. 2-acetamido-2-deoxy-b-d-glucose

    60. Ninds_000352

    61. Dtxsid301045979

    62. Hms1921e22

    63. Unii-8p59336f68

    64. N-acetyl-d-glucosamine, Usp Grade

    65. Zinc3983907

    66. Bdbm50481442

    67. Ccg-39291

    68. Akos015960418

    69. At21015

    70. Beta-1,4-poly-n-acetyl-d-glucosamine

    71. 2-acetamido-2-deoxy-beta-delta-glucose

    72. Idi1_000352

    73. N-[(2r,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

    74. Ncgc00178341-01

    75. [1,4-(n-acetyl-beta-d-glucosaminyl)]n

    76. 2-deoxy-2-acetamido-beta-d-glucopyranose

    77. Ac-11093

    78. (1->4)-2-acetamido-2-deoxy-beta-d-glucan

    79. 2-(acetylamino)-2-deoxy-beta-d-glucopyranose

    80. 2-acetamido-2-deoxy-.beta.-d-glucose

    81. 12a176

    82. C03878

    83. Glucopyranose, 2-acetamido-2-deoxy-, Beta-d-

    84. N-acetyl-d-glucosamine (complete Stereochemistry)

    85. Q284367

    86. 2-acetamido-2-deoxy-.beta.-d-glucopyranose

    87. Glucopyranose, 2-acetamido-2-deoxy-, .beta.-d-

    88. 2-acetamido-2-deoxy-d-glucosen-acetyl-beta-d-glucosamine

    89. Poly-(b1-4)-n-acetyl Glucosamine/poly-(a1-4)-n-acetyl Glucosamine

    90. Wurcs=2.0/1,1,0/[a2122h-1b_1-5_2*ncc/3=o]/1/

    2.4 Create Date
    2005-06-23
    3 Chemical and Physical Properties
    Molecular Weight 221.21 g/mol
    Molecular Formula C8H15NO6
    XLogP3-1.7
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass221.08993720 g/mol
    Monoisotopic Mass221.08993720 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity235
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1