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    Technical details about N-Acetyl-Neuraminic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    N-Acetyl-Neuraminic Acid

    INTERMEDIATES

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-2-nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-2-nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulopyranosonic acid, D-glycero-5-acetamido-3,5-dideoxy-d-galacto-non-2-ulo-pyranosonic acid, N-acetylneuraminic acid
    Molecular Formula
    C11H19NO9
    Molecular Weight
    309.27  g/mol
    InChI Key
    SQVRNKJHWKZAKO-LUWBGTNYSA-N
    N-Acetylneuraminic acid is a metabolite found in the aging mouse brain.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1
    2.1.3 InChI Key
    SQVRNKJHWKZAKO-LUWBGTNYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
    2.1.5 Isomeric SMILES
    CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-2-nonulopyranosonic Acid

    2. 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-2-nonulosonic Acid

    3. 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-nonulosonic Acid

    4. 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulopyranosonic Acid

    5. D-glycero-5-acetamido-3,5-dideoxy-d-galacto-non-2-ulo-pyranosonic Acid

    6. N-acetylneuraminic Acid

    7. Neu5ac

    8. N-acetylneuraminate

    9. Neuac

    10. Acidium Aceneuramicum

    11. 131-48-6

    12. O-sialic Acid

    13. Neuraminic Acid, N-acetyl-

    14. Acide Aceneuramique

    15. Chembl4280954

    16. Chebi:17012

    17. Nsc 111756

    18. 5-acetamido-3,5-dideoxy-d-glycero-d-galacto-2-nonulosonic Acid

    19. 5-n-acetylneuraminic Acid

    20. 489-46-3

    21. Nsc111756

    22. 5-acetamido-3,5-dideoxy-d-glycero-d-galacto-non-2-ulopyranosonic Acid

    23. Bmse000057

    24. Epitope Id:146100

    25. Schembl236448

    26. Bdbm50468556

    27. Akos025311078

    28. C00270

    29. A806270

    30. F_full_00010000000000_gs_6869

    31. Wurcs=2.0/1,1,0/[aad21122h-2x_2-6_5*ncc/3=o]/1/

    32. 5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-2-nonulosonicaci;galactononulosonic Acid

    33. (4s,5r,6r)-5-acetamido-2,4-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic Acid

    34. (4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic Acid

    35. 6alpha-[(1r,2r)-1,2,3-trihydroxypropyl]-5beta-(acetylamino)-2,4alpha-dihydroxytetrahydro-2h-pyran-2-carboxylic Acid

    2.3 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 309.27 g/mol
    Molecular Formula C11H19NO9
    XLogP3-3.5
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass309.10598118 g/mol
    Monoisotopic Mass309.10598118 g/mol
    Topological Polar Surface Area177 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity403
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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