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    Ascorbic acid palmitate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 386Xls

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    2D Structure
    Also known as: Palmitoyl l-ascorbic acid, 6-monopalmitoyl-l-ascorbate, 1-ascorbyl palmitate, Ascorbic acid palmitate, 6-hexadecanoyl-l-ascorbic acid, L-ascorbyl monopalmitate
    Molecular Formula
    C22H38O7
    Molecular Weight
    414.5  g/mol
    InChI Key
    QAQJMLQRFWZOBN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] hexadecanoate
    2.1.2 InChI
    InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3
    2.1.3 InChI Key
    QAQJMLQRFWZOBN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 6-o-palmitoylascorbate

    2. 6-o-palmitoylascorbic Acid

    3. Asc-6-o-palmitate

    4. Asc6plm

    5. Ascorbate 6-palmitate

    6. Ascorbic Acid-6-o-palmitate

    7. Ascorbyl Palmitate

    8. Vitamin C-palmitate

    2.2.2 Depositor-Supplied Synonyms

    1. Palmitoyl L-ascorbic Acid

    2. 6-monopalmitoyl-l-ascorbate

    3. 1-ascorbyl Palmitate

    4. Ascorbic Acid Palmitate

    5. 6-hexadecanoyl-l-ascorbic Acid

    6. L-ascorbyl Monopalmitate

    7. 6-palmitoylascorbic Acid

    8. L-ascorbic Acid, 6-palmitate

    9. Ascorbic Palmitate

    10. Ascorbyl Monopalmitate

    11. Palmitic Acid, Ester With Ascorbic Acid

    12. Ascorboyl Palmitate

    13. Ascorbylpalmitic Acid

    14. Ascorbyl 6-palmitate

    15. 6-palmitoyl-l-ascorbic Acid

    16. 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl Hexadecanoate

    17. Nsc 402451

    18. Vitamin C-palmitate

    19. 6-o-hexadecanoylhex-1-enofuranos-3-ulose

    20. L-ascorbylpalmitate

    21. Ncgc00161605-01

    22. Ascorbyl Palmitate, Usan

    23. Upcmld-dp030

    24. Schembl285433

    25. Schembl2617115

    26. Chembl1566067

    27. Upcmld-dp030:001

    28. Dtxsid00974439

    29. Lmfa07010788

    30. Nsc402451

    31. Akos015895924

    32. Ncgc00161605-02

    33. Nci60_003777

    34. Ft-0622493

    35. Hexadecanoic Acid 2-(2,5-dihydro-5-oxo-3,4-dihydroxyfuran-2-yl)2-hydroxyethyl Ester

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 414.5 g/mol
    Molecular Formula C22H38O7
    XLogP36.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count18
    Exact Mass414.26175355 g/mol
    Monoisotopic Mass414.26175355 g/mol
    Topological Polar Surface Area113 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity515
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antimutagenic Agents

    Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved. (See all compounds classified as Antimutagenic Agents.)

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)