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    Aleuritic Acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 21,010Xls

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    2D Structure
    Also known as: Aleuritic acid, 6949-98-0, Aleuretic acid, Hexadecanoic acid, 9,10,16-trihydroxy-, 9,10,16-trihydroxy palmitic acid, 9,10,16-trihydroxy-hexadecanoic acid
    Molecular Formula
    C16H32O5
    Molecular Weight
    304.42  g/mol
    InChI Key
    MEHUJCGAYMDLEL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    9,10,16-trihydroxyhexadecanoic acid
    2.1.2 InChI
    InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)
    2.1.3 InChI Key
    MEHUJCGAYMDLEL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 9,10,16-trihydroxypalmitic Acid

    2. Aleuritic Acid

    3. Aleuritolic Acid

    4. Aleuritolic Acid, (r*,r*)-isomer

    5. Aleuritolic Acid, (r*,s*)-(+-)-isomer

    2.2.2 Depositor-Supplied Synonyms

    1. Aleuritic Acid

    2. 6949-98-0

    3. Aleuretic Acid

    4. Hexadecanoic Acid, 9,10,16-trihydroxy-

    5. 9,10,16-trihydroxy Palmitic Acid

    6. 9,10,16-trihydroxy-hexadecanoic Acid

    7. (+/-)-erythro-aleuritic Acid;alpha-aleuritic Acid

    8. 9,10,16-trihydroxypalmitic Acid

    9. Dl-erythro-9,10,16-trihydroxyhexadecanoic Acid

    10. .alpha.-aleuritic Acid

    11. Nsc-25150

    12. Beta-aleuritic Acid

    13. (.+/-.)-aleuritic Acid

    14. Schembl284714

    15. Dtxsid90862139

    16. Chebi:177476

    17. Hy-n7076

    18. Nsc25150

    19. 9,10,16-trihydroxyhexadecanoicacid

    20. Bbl033550

    21. Lmfa01050101

    22. Nsc 25150

    23. Stl372740

    24. Akos025247945

    25. Ccg-214261

    26. Cs-w012097

    27. 9,10,16-trihydroxyhexadecanoic Acid #

    28. Vs-12140

    29. Ft-0621955

    30. Ft-0621956

    31. ( Inverted Exclamation Marka)-erythro-aleuritic Acid

    32. Hexadecanoic Acid, 9,10,16-trihydroxy-, (r*,s*)-(.+/-.)-

    33. 18951-77-4

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 304.42 g/mol
    Molecular Formula C16H32O5
    XLogP32.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count15
    Exact Mass304.22497412 g/mol
    Monoisotopic Mass304.22497412 g/mol
    Topological Polar Surface Area98 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity245
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1