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    Technical details about 1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol, learn more about the structure, uses, toxicity, action, side effects and more

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    1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 5306-85-4, Isosorbide dimethyl ether, (3r,3ar,6s,6ar)-3,6-dimethoxyhexahydrofuro[3,2-b]furan, 2,5-dimethylisosorbide, 1,4:3,6-dianhydro-2,5-di-o-methyl-d-glucitol, (3s,3ar,6r,6ar)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
    Molecular Formula
    C8H14O4
    Molecular Weight
    174.19  g/mol
    InChI Key
    MEJYDZQQVZJMPP-ULAWRXDQSA-N
    FDA UNII
    SA6A6V432S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
    2.1.2 InChI
    InChI=1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
    2.1.3 InChI Key
    MEJYDZQQVZJMPP-ULAWRXDQSA-N
    2.1.4 Canonical SMILES
    COC1COC2C1OCC2OC
    2.1.5 Isomeric SMILES
    CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC
    2.2 Other Identifiers
    2.2.1 UNII
    SA6A6V432S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,5-dimethylisosorbide

    2. 2,5-o-dimethylisosorbide

    3. Arlasolve Dmi

    2.3.2 Depositor-Supplied Synonyms

    1. 5306-85-4

    2. Isosorbide Dimethyl Ether

    3. (3r,3ar,6s,6ar)-3,6-dimethoxyhexahydrofuro[3,2-b]furan

    4. 2,5-dimethylisosorbide

    5. 1,4:3,6-dianhydro-2,5-di-o-methyl-d-glucitol

    6. (3s,3ar,6r,6ar)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

    7. Sa6a6v432s

    8. D-glucitol, 1,4:3,6-dianhydro-2,5-di-o-methyl-

    9. Nsc-40727

    10. Nsc-44695

    11. (3r,3ar,6s,6ar)-3,6-dimethoxy-hexahydrofuro[3,2-b]furan

    12. Dimethyl Isosorbide Ether

    13. Unii-sa6a6v432s

    14. Mfcd00064828

    15. 2,5-di-o-methyl-1,4:3,6-dianhydro-d-glucitol

    16. Einecs 226-159-8

    17. Nsc 40727

    18. Nsc 44695

    19. Isosorbide, Dimethyl Ether

    20. Sorbitol, 1,4:3,6-dianhydro-2,5-di-o-methyl-

    21. Schembl301881

    22. Glucitol, 1,4:3,6-dianhydro-2,5-di-o-methyl-, D-

    23. Dimethyl Isosorbide [ii]

    24. Isosorbide Dimethyl Ether, 98%

    25. Dimethyl Isosorbide [inci]

    26. Dtxsid201019399

    27. Nsc40727

    28. Nsc44695

    29. Zinc1849546

    30. Ac8407

    31. Akos016010544

    32. As-17682

    33. Cs-0144267

    34. I0390

    35. D-glucitol, 1,4:3,6-dianhydro-2,5-di-o-methyl

    36. Q5807233

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 174.19 g/mol
    Molecular Formula C8H14O4
    XLogP3-0.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass174.08920892 g/mol
    Monoisotopic Mass174.08920892 g/mol
    Topological Polar Surface Area36.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity143
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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