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    Technical details about CAS 582-52-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 582-52-5

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    2D Structure
    Also known as: Diacetone-d-glucose, 79943-22-9, 582-52-5, (3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol, (3as,5r,6r,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, (3ar,5s,6as)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
    Molecular Formula
    C12H20O6
    Molecular Weight
    260.28  g/mol
    InChI Key
    KEJGAYKWRDILTF-SVSWQMSJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aS,5R,6R,6aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
    2.1.2 InChI
    InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9-,10-/m0/s1
    2.1.3 InChI Key
    KEJGAYKWRDILTF-SVSWQMSJSA-N
    2.1.4 Canonical SMILES
    CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C
    2.1.5 Isomeric SMILES
    CC1(OC[C@H](O1)[C@H]2[C@H]([C@H]3[C@@H](O2)OC(O3)(C)C)O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2-5,6-di-o-isopropylidene-d-glucofuranose

    2. 1,2-5,6-di-o-isopropylidene-d-glucofuranose, Potassium Salt

    3. Diacetone Glucose

    2.2.2 Depositor-Supplied Synonyms

    1. Diacetone-d-glucose

    2. 79943-22-9

    3. 582-52-5

    4. (3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol

    5. (3as,5r,6r,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

    6. (3ar,5s,6as)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

    7. Diacetone-l-glucose

    8. 1,2:5,6-di-o-isopropylidene-a-l-glucofuranose

    9. 1,2:5,6-di-o-isopropylidene-a-d-glucofuranose

    10. Schembl23511062

    11. Mfcd00080779

    12. Zinc22116666

    13. Akos015924590

    14. At13183

    15. Cs-0343357

    16. 1,2,5,6-di-o-isopropylidene-a-l-glucofuranose

    17. 1,2:5,6-di-o-isopropylidene-alpha-l-glucofuranose?

    18. 1-o,2-o:5-o,6-o-diisopropylidene-alpha-l-glucofuranose

    19. 1,2,5,6-di-o-isopropylidene-

    20. A Inverted Exclamation Mark-l-glucofuranose

    21. (3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-6-ol

    22. (3as,5r,6r,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2h-furo[2,3-d][1,3]dioxol-6-ol

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 260.28 g/mol
    Molecular Formula C12H20O6
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass260.12598835 g/mol
    Monoisotopic Mass260.12598835 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity342
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1