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    CAS 54010-75-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 54010-75-2, Zinc(ii) trifluoromethanesulfonate, Zinc trifluoromethanesulphonate, Zinc triflate, Zinc trifluoromethansulfonate, Zinc;trifluoromethanesulfonate
    Molecular Formula
    C2F6O6S2Zn
    Molecular Weight
    363.5  g/mol
    InChI Key
    CITILBVTAYEWKR-UHFFFAOYSA-L
    Zinc trifluoromethanesulfonate is the zinc salt of trifluoromethanesulfonic acid. It is commonly used as a Lewis acid catalyst. Zinc is a metallic element with the atomic number 30. It is found in nature most often as the mineral sphalerite. Though excess zinc in harmful, in smaller amounts it is an essential element for life, as it is a cofactor for over 300 enzymes and is found in just as many transcription factors. (L48, L49, L539)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    zinc;trifluoromethanesulfonate
    2.1.2 InChI
    InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
    2.1.3 InChI Key
    CITILBVTAYEWKR-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zn+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Zn(otf)(2)

    2. Zn(otf)2

    2.2.2 Depositor-Supplied Synonyms

    1. 54010-75-2

    2. Zinc(ii) Trifluoromethanesulfonate

    3. Zinc Trifluoromethanesulphonate

    4. Zinc Triflate

    5. Zinc Trifluoromethansulfonate

    6. Zinc;trifluoromethanesulfonate

    7. Methanesulfonic Acid, Trifluoro-, Zinc Salt

    8. Zn(otf)2

    9. Zinc(ii) Triflate

    10. Zinktriflat

    11. Zinc(ii)triflate

    12. Einecs 258-922-6

    13. Mfcd00013229

    14. Zinc (ii) Triflate

    15. Schembl165265

    16. Zinc Trifluorometha-nesulfonate

    17. Dtxsid7068899

    18. Zinc(ii)trifluoromethanesulfonate

    19. Methanesulfonic Acid, 1,1,1-trifluoro-, Zinc Salt (2:1)

    20. Zinc (ii) Trifluoromethanesulfonate

    21. Act09824

    22. Amy37817

    23. Zinc Trifluoromethanesulfonate, 98%

    24. Akos005258662

    25. Gs-6843

    26. Sc10875

    27. Zinc(2+) Ion Ditrifluoromethanesulfonate

    28. Zinc(ii) Trifluoromethanesulphonate

    29. Db-009916

    30. Trifluoromethanesulfonic Acid Zinc(ii) Salt

    31. Ft-0658247

    32. T1294

    33. A829906

    34. Q8072312

    35. Trifluoromethanesulfonic Acid Zinc Salt, Zinc Triflate

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 363.5 g/mol
    Molecular Formula C2F6O6S2Zn
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area131
    Heavy Atom Count17
    Formal Charge0
    Complexity145
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (L49)