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    CAS 186204-35-3

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 186204-35-3, (r,r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane, [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate, (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane, 139506-07-3, (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane
    Molecular Formula
    C10H20O6S2
    Molecular Weight
    300.4  g/mol
    InChI Key
    JIHKCHWEXXZTOU-UWVGGRQHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,2R)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
    2.1.2 InChI
    InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
    2.1.3 InChI Key
    JIHKCHWEXXZTOU-UWVGGRQHSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)OCC1CCCCC1COS(=O)(=O)C
    2.1.5 Isomeric SMILES
    CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 186204-35-3

    2. (r,r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

    3. [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl Methanesulfonate

    4. (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane

    5. 139506-07-3

    6. (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

    7. 1,2-cyclohexanedimethanol, 1,2-dimethanesulfonate, (1r,2r)-rel-

    8. Mfcd12923309

    9. Nsc76458

    10. Schembl924034

    11. (1r,2r)-1,2-cyclohexanedimethanol 1,2-dimethanesulfonate

    12. Dtxsid70291564

    13. Amy32497

    14. Zinc1709848

    15. Nsc-76458

    16. Akos015999600

    17. Ac-24376

    18. Ds-16691

    19. Cs-0031399

    20. Trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

    21. A1-00283

    22. J-502303

    23. (r,r)-1,2-bis(methanesulfonyloxymethyl)-cyclohexane

    24. (r,r)-trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

    25. [(1r,2r)-cyclohexane-1,2-diyl]bis(methylene) Dimethanesulfonate

    26. [(1r,2r)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl Methanesulfonate

    27. Bis(methanesulfonic Acid)[(1r,2r)-1,2-cyclohexanediyl]bismethylene Ester

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 300.4 g/mol
    Molecular Formula C10H20O6S2
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass300.07013070 g/mol
    Monoisotopic Mass300.07013070 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity398
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1