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    CAS 25383-07-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 25383-07-7, Fosfomycin phenylethylamine, Fosfomycin (r)-1-phenethylamine, Fosfomycin (r)-1-phenethylamine salt, 50v5rbu89i, Levo-phosphonomycin (r)-1-phenethylamine salt
    Molecular Formula
    C11H18NO4P
    Molecular Weight
    259.24  g/mol
    InChI Key
    ODALAXKSIBESFV-PXRNWTNJSA-N
    FDA UNII
    50V5RBU89I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid;(1R)-1-phenylethanamine
    2.1.2 InChI
    InChI=1S/C8H11N.C3H7O4P/c1-7(9)8-5-3-2-4-6-8;1-2-3(7-2)8(4,5)6/h2-7H,9H2,1H3;2-3H,1H3,(H2,4,5,6)/t7-;2-,3+/m10/s1
    2.1.3 InChI Key
    ODALAXKSIBESFV-PXRNWTNJSA-N
    2.1.4 Canonical SMILES
    CC1C(O1)P(=O)(O)O.CC(C1=CC=CC=C1)N
    2.1.5 Isomeric SMILES
    C[C@H]1[C@H](O1)P(=O)(O)O.C[C@H](C1=CC=CC=C1)N
    2.2 Other Identifiers
    2.2.1 UNII
    50V5RBU89I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 25383-07-7

    2. Fosfomycin Phenylethylamine

    3. Fosfomycin (r)-1-phenethylamine

    4. Fosfomycin (r)-1-phenethylamine Salt

    5. 50v5rbu89i

    6. Levo-phosphonomycin (r)-1-phenethylamine Salt

    7. [(2r,3s)-3-methyloxiran-2-yl]phosphonic Acid;(1r)-1-phenylethanamine

    8. Unii-50v5rbu89i

    9. Ec 418-570-8

    10. Dtxsid80726231

    11. [(2r,3s)-3-methyloxiran-2-yl]phosphonic Acid,(1r)-1-phenylethanamine

    12. Akos025311516

    13. 3-methyl-2-butene-1-aminehcl

    14. (r)-alpha-phenylethylammonium (-)-(1r, 2s)-(1,2-epoxypropyl)phosphonate Monohydrate

    15. As-15719

    16. Phosphonic Acid, (1,2-epoxypropyl)-, Cis-(-)-, Compd. With (+)-alpha-methylbenzylamine (1:1)

    17. Phosphonic Acid, P-((2r,3s)-3-methyl-2-oxiranyl)-, Compd. With (alphar)-alpha-methylbenzenemethanamine (1:1)

    18. Cs-0199057

    19. E78444

    20. 383f077

    21. J-015973

    22. Q27260828

    23. (r)-1-phenylethan-1-amine ((2r,3s)-3-methyloxiran-2-yl)phosphonate

    24. [(2r,3s)-3-methyloxiran-2-yl]phosphonic Acid--(1r)-1-phenylethan-1-amine (1/1)

    25. Phosphonic Acid, (1,2-epoxypropyl)-, Cis-(-)-, Compd. With (+)-.alpha.-methylbenzylamine (1:1)

    26. Phosphonic Acid, P-((2r,3s)-3-methyl-2-oxiranyl)-, Compd. With (.alpha.r)-.alpha.-methylbenzenemethanamine (1:1)

    2.4 Create Date
    2012-08-06
    3 Chemical and Physical Properties
    Molecular Weight 259.24 g/mol
    Molecular Formula C11H18NO4P
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass259.09734505 g/mol
    Monoisotopic Mass259.09734505 g/mol
    Topological Polar Surface Area96.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity213
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2