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    CAS 87413-09-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 87413-09-0, Triacetoxyperiodinane, Dess-martin reagent, Dess martin periodinane, (1,1,1-triacetoxy)-1,1-dihydro-1,2-benziodoxol-3(1h)-one, Dess martin
    Molecular Formula
    C13H13IO8
    Molecular Weight
    424.14  g/mol
    InChI Key
    NKLCNNUWBJBICK-UHFFFAOYSA-N
    FDA UNII
    336B74JK56
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1,1-diacetyloxy-3-oxo-15,2-benziodoxol-1-yl) acetate
    2.1.2 InChI
    InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3
    2.1.3 InChI Key
    NKLCNNUWBJBICK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    336B74JK56
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    2.3.2 Depositor-Supplied Synonyms

    1. 87413-09-0

    2. Triacetoxyperiodinane

    3. Dess-martin Reagent

    4. Dess Martin Periodinane

    5. (1,1,1-triacetoxy)-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    6. Dess Martin

    7. 1,1,1-tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    8. 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    9. Chembl116656

    10. 336b74jk56

    11. (1,1-diacetyloxy-3-oxo-1lambda5,2-benziodoxol-1-yl) Acetate

    12. 1,1,1-tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1h)-one

    13. 1,2-benziodoxol-3(1h)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-

    14. Dess-martinperiodinane

    15. 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3-(1h)-one

    16. Acetic Acid 1,1-diacetoxy-3-oxo-1l5-ioda-2-oxa-indan-1-yl Ester

    17. Dess-martin Periodane

    18. Dess-martin

    19. Unii-336b74jk56

    20. Dess Martin Reagent

    21. Mfcd00130127

    22. Dess-martin Reactant

    23. Triacetoxy Periodinane

    24. Dessmartin Periodinane

    25. Dess-martin's Reagent

    26. Dess Martin's Reagent

    27. Dess_martin Periodinane

    28. Desss-martin Periodinane

    29. Dessmartin's Periodinane

    30. Martin's Reagent

    31. Dess-martine Periodinane

    32. Dess -martin Periodinane

    33. Des S-martin Periodinane

    34. Dess--martin Periodinane

    35. Reagents, Martin's

    36. Dess-martin Periodine

    37. Schembl62879

    38. Dess-martin Periodinane, 97%

    39. Schembl1999537

    40. Schembl3746862

    41. Amy4130

    42. Dtxsid30236335

    43. 1,1-dihydro-1,1,1-triacetoxy-1,2-benziodoxol-3(1h)-one

    44. 3-oxo-1l5-benzo[d][1,2]iodaoxole-1,1,1(3h)-triyl Triacetate

    45. Act03134

    46. Bcp09374

    47. Zinc4254179

    48. 1,1-bis(acetyloxy)-3-oxo-3h-1lambda5,2-benziodaoxol-1-yl Acetate

    49. Bdbm50075026

    50. Dess-martin Periodinane [mi]

    51. Akos005146141

    52. Ab03686

    53. Gs-6909

    54. Ac-28729

    55. Bp-20360

    56. Dess-martin Periodinane (technical Grade)

    57. Cs-0020511

    58. D2045

    59. D4477

    60. Ft-0602194

    61. Q420909

    62. 1,1,1-triacetoxy-1lambda5,2-benziodoxol-3(1h)-one

    63. (7,7-diacetyloxy-9-oxo-7lambda(5)-ioda-8-oxabicyclo[

    64. F0001-2178

    65. 1,1,1 Triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    66. 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxyl-3(1h)-one

    67. 1,1,1-tris(acetyloxy)-1lambda5, 2-benziodoxol-3(1h)-on

    68. 1,1,1-tris(acetyloxy)-1lambda5,2-benziodoxol-3(1h)-one

    69. 1,1, 1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    70. 1,1,1 -triacetoxy-1,1 -dihydro-1,2-benziodoxyl-3(1h)-one

    71. 1,1,1-tri Acetoxy-1,1-dihydro-1,2-benziodoxol-3(1h)-one

    72. 1,1,1-triacetoxy-1, 1-dihydro-1,2-benziodoxol-3(1h)-one

    73. 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 (1h)-one

    74. 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxyl-3 (1h)-one

    75. 1,1,1-tris(acetyloxy)-1lambda~5~,2-benziodoxol-3(1h)-one

    76. 1,1-bis(acetyloxy)-3-oxo-3h-1??,2-benziodaoxol-1-yl Acetate

    77. 1,1-dihydro-1,1,1-triacetoxy-1,2-benzoiodooxol-3(1h)-one

    78. 1.1.1-triacetoxy-1.1-dihydro-1.2-benziodoxol-3-(1h)-one

    79. Dess-martin Periodinane Solution, 0.3 M In Methylene Chloride

    80. Dess-martin Periodinane Solution, 10 Wt% In Methylene Chloride

    81. 1,1,1-tris (acetyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1h)-on E

    82. 1,1,1-tris(acetyloxy)-1,1-dihydro-1, 2-benziodoxol-3(1h)-one

    83. 1,1,1-tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1 H)-one

    84. 1,1,1-tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1h)-on E

    85. 1,1,1-tris(actyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1h)-one

    86. Dess-martin Periodinane Solution, 0.3m In Methylene Chloride

    87. Acetic Acid 1,1-diacetoxy-3-oxo-1lambda*5*-ioda-2-oxa-indan-1-yl Ester

    88. Acetic Acid 1,1-diacetoxy-3-oxo-1lambda5-ioda-2-oxa-indan-1-yl Ester

    89. Acetic Acid 1,1',1''-(3-oxo-1.lambda.5-1,2-benziodoxol-1(3h)-ylidyne) Ester

    90. Acetic Acid, 1,1',1''-(3-oxo-1.lambda.5-1,2-benziodoxol-1(3h)-ylidyne) Ester

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 424.14 g/mol
    Molecular Formula C13H13IO8
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass423.96551 g/mol
    Monoisotopic Mass423.96551 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity499
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1