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    31618-90-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 31618-90-3, Diethyl (tosyloxy)methylphosphonate, Diethoxyphosphorylmethyl 4-methylbenzenesulfonate, Diethyl 4-toluenesulfonyloxymethylphosphonate, Diethyl p-toluenesulfonyloxymethylphosphonate, Diethyl p-toluenesulfonyloxy methylphosphonate
    Molecular Formula
    C12H19O6PS
    Molecular Weight
    322.32  g/mol
    InChI Key
    UOEFFQWLRUBDME-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethoxyphosphorylmethyl 4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
    2.1.3 InChI Key
    UOEFFQWLRUBDME-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 31618-90-3

    2. Diethyl (tosyloxy)methylphosphonate

    3. Diethoxyphosphorylmethyl 4-methylbenzenesulfonate

    4. Diethyl 4-toluenesulfonyloxymethylphosphonate

    5. Diethyl P-toluenesulfonyloxymethylphosphonate

    6. Diethyl P-toluenesulfonyloxy Methylphosphonate

    7. Diethyl Tosyloxymethylphosphonate

    8. Phosphonic Acid, [[[(4-methylphenyl)sulfonyl]oxy]methyl]-, Diethyl Ester

    9. Diethyl P-toluenesulfonyloxymethyl Phosphonate

    10. Tosyloxymethyl Diethyl Phosphonate

    11. (diethoxyphosphoryl)methyl4-methylbenzenesulfonate

    12. Schembl139911

    13. Tosyloxymethyl Diethylphosphonate

    14. Dtxsid60400648

    15. Act01151

    16. Bcp13832

    17. Diethyl (tosyloxy)methyl Phosphonate

    18. Zinc4352618

    19. Ac-334

    20. Mfcd03412078

    21. Akos000122757

    22. Cs-w019678

    23. As-15419

    24. Iethyl P-toluenesulfonyloxymethylphosphonate

    25. Tosyloxymethylphosphonic Acid Diethyl Ester

    26. (diethoxyphosphoryl)methyl P-toluenesulfonate

    27. Am20090682

    28. D4968

    29. Diethyl P-tolunesulponyloxymethyl Phosphonate

    30. Ft-0602108

    31. Diethyl P-toluene Sulfonyloxy Methylphosphonate

    32. D70886

    33. Diethyl (p-toluenesulfonyloxymethyl)phosphonate

    34. (diethoxyphosphoryl)methyl-4-methylbenzenesulfonate

    35. 618d903

    36. A820931

    37. J-501801

    38. (diethoxyphosphoryl)methyl 4-methylbenzene-1-sulfonate

    39. Toluene-4-sulfonic Acid Diethoxy-phosphorylmethyl Ester

    40. (p-toluenesulfonyloxymethyl)phosphonic Acid Diethyl Ester

    41. P-toluenesulfonic Acid (diethoxyphosphoryl)methyl Ester

    42. 4-methylbenzenesulfonic Acid Diethoxyphosphorylmethyl Ester

    43. Phosphonic Acid, P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, Diethyl Ester

    2.3 Create Date
    2005-09-13
    3 Chemical and Physical Properties
    Molecular Weight 322.32 g/mol
    Molecular Formula C12H19O6PS
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass322.06399649 g/mol
    Monoisotopic Mass322.06399649 g/mol
    Topological Polar Surface Area87.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity412
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1