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    Ketoleucine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 50Xls

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    2D Structure
    Also known as: 4502-00-5, Sodium 4-methyl-2-oxopentanoate, Sodium ketoisocaproate, Sodium alpha-ketoisocaproate, 4-methyl-2-oxopentanoic acid sodium salt, Sodium;4-methyl-2-oxopentanoate
    Molecular Formula
    C6H9NaO3
    Molecular Weight
    152.12  g/mol
    InChI Key
    IXFAZKRLPPMQEO-UHFFFAOYSA-M
    FDA UNII
    815X976CPY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;4-methyl-2-oxopentanoate
    2.1.2 InChI
    InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
    2.1.3 InChI Key
    IXFAZKRLPPMQEO-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(C)CC(=O)C(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    815X976CPY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4502-00-5

    2. Sodium 4-methyl-2-oxopentanoate

    3. Sodium Ketoisocaproate

    4. Sodium Alpha-ketoisocaproate

    5. 4-methyl-2-oxopentanoic Acid Sodium Salt

    6. Sodium;4-methyl-2-oxopentanoate

    7. 4-methyl-2-oxovaleric Acid Sodium Salt

    8. 815x976cpy

    9. Ketoleucine Sodium Salt

    10. 2-ketoisocaproic Acid Sodium Salt

    11. Smr000875302

    12. Sodium 2-ketoisocaproate

    13. Unii-815x976cpy

    14. Ketoleucine Sodium

    15. Einecs 224-816-3

    16. Pentanoic Acid, 4-methyl-2-oxo-, Sodium Salt

    17. Mls001333649

    18. Mls001333650

    19. Sodium4-methyl-2-oxopentanoate

    20. Schembl1532427

    21. Chembl2142054

    22. Dtxsid70196363

    23. 4-methyl-2-oxo-pentanoate Sodium

    24. Hms2233d10

    25. Hms3372l01

    26. 2-ketoisocaproic Acid, Sodium Salt

    27. Mfcd00064193

    28. Akos015905337

    29. Akos024462567

    30. Cs-w018103

    31. S10401

    32. As-15036

    33. 2-oxo-4-methyl Pentanoic Acid Sodium Salt

    34. Sodium 4-methyl-2-oxidanylidene-pentanoate

    35. Ft-0635329

    36. A826704

    37. W-106166

    38. Q27269215

    39. Pentanoic Acid, 4-methyl-2-oxo-, Sodium Salt (1:1)

    2.4 Create Date
    2005-09-13
    3 Chemical and Physical Properties
    Molecular Weight 152.12 g/mol
    Molecular Formula C6H9NaO3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass152.04493843 g/mol
    Monoisotopic Mass152.04493843 g/mol
    Topological Polar Surface Area57.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity131
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2