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    2-Phosphonomethyl-Pentanedioic Acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 173039-10-6, 2-pmpa, Pmpa(naaladaseinhibitor), Pmpa (naaladase inhibitor), Pmpa free acid, 2-(phosphonomethyl)-pentanedioic acid
    Molecular Formula
    C6H11O7P
    Molecular Weight
    226.12  g/mol
    InChI Key
    ISEYJGQFXSTPMQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(phosphonomethyl)pentanedioic acid
    2.1.2 InChI
    InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
    2.1.3 InChI Key
    ISEYJGQFXSTPMQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CC(=O)O)C(CP(=O)(O)O)C(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-pmpa Cpd

    2.2.2 Depositor-Supplied Synonyms

    1. 173039-10-6

    2. 2-pmpa

    3. Pmpa(naaladaseinhibitor)

    4. Pmpa (naaladase Inhibitor)

    5. Pmpa Free Acid

    6. 2-(phosphonomethyl)-pentanedioic Acid

    7. Chembl47009

    8. 173039-10-6 (free Acid)

    9. Pentanedioic Acid, 2-(phosphonomethyl)-

    10. Unii-xh88wjg9lj

    11. Xh88wjg9lj

    12. 2-pmpa(naaladaseinhibitor)

    13. Schembl383173

    14. Bdbm17659

    15. Dtxsid90436036

    16. Hms3267d10

    17. Hms3412k10

    18. Hms3676k10

    19. Hms3749m13

    20. 2-phosphonomethyl-pentanedioic Acid

    21. Ex-a1248

    22. Yga03910

    23. Pentanedioic Acid Analogue, (rs)-1

    24. Mfcd00940167

    25. Akos016004257

    26. 2-pmpa, >=98% (hplc)

    27. Cs-6202

    28. Ncgc00167723-01

    29. (r,s)-2-phosphonomethylpentanedioic Acid

    30. 2-(phosphonomethyl)pentane-1,5-dioicacid

    31. 2-(phosphonomethyl)pentane-1,5-dioic Acid

    32. Hy-100788

    33. 2-(phosphonomethyl)pentanedioic Acid (pmpa)

    34. J-010872

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 226.12 g/mol
    Molecular Formula C6H11O7P
    XLogP3-2.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass226.02423968 g/mol
    Monoisotopic Mass226.02423968 g/mol
    Topological Polar Surface Area132 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity267
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1