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    CAS 154026-95-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 154026-95-6, Tert-butyl 2-((4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate, C15h26o6, Tert-butyl 2-[(4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, Tert-butyl 2-[(4r,6s)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, 1116473-61-0
    Molecular Formula
    C15H26O6
    Molecular Weight
    302.36  g/mol
    InChI Key
    NGABCYSYENPREI-NEPJUHHUSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
    2.1.2 InChI
    InChI=1S/C15H26O6/c1-10(16)18-9-12-7-11(19-15(5,6)20-12)8-13(17)21-14(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12+/m1/s1
    2.1.3 InChI Key
    NGABCYSYENPREI-NEPJUHHUSA-N
    2.1.4 Canonical SMILES
    CC(=O)OCC1CC(OC(O1)(C)C)CC(=O)OC(C)(C)C
    2.1.5 Isomeric SMILES
    CC(=O)OC[C@@H]1C[C@@H](OC(O1)(C)C)CC(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 154026-95-6

    2. Tert-butyl 2-((4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

    3. C15h26o6

    4. Tert-butyl 2-[(4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

    5. Tert-butyl 2-[(4r,6s)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

    6. 1116473-61-0

    7. [(4s,6r)-6-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl Acetate

    8. Tert-butyl 2-(cis-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

    9. Mfcd08458213

    10. (4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl Ester

    11. Schembl574108

    12. Rosuvastatin Impurity 91

    13. Amy4201

    14. Dtxsid30934900

    15. Ac7699

    16. Akos015896155

    17. Ac-3409

    18. Cs-w003520

    19. Ds-1381

    20. A24820

    21. Tert-butyl 6-o-acetyl-2,4-dideoxy-3,5-o-(1-methylethylidene)hexonate

    22. 2-[(4r,6s)-6-(acetoxymethyl)-2,2-dimethyl-1,3-dioxane-4-yl]acetic Acid Tert-butyl Ester

    23. 2-methyl-2-propanyl 6-o-acetyl-2,4-dideoxy-3,5-o-isopropylidene-d-erythro-hexonate

    24. Tert-butyl 2-{(4r,6s)-2,2-dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl}acetate

    25. (4r-cis)-6-[(acetyloxy)methyl]-2 Pound Not2-dimethyl-
    1 Pound Not3-dioxane-4-acetic Acid Pound Not1 Pound Not1-dimethylethyl Ester

    26. (4r-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid, 1,1-dimethylethyl Ester

    27. Tert-butyl 2-{(4r,6s)-2,2-dimethyl-6-[(methyl-carbonyloxy)methyl]-1,3-dioxan-4-yl}acetate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 302.36 g/mol
    Molecular Formula C15H26O6
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area71.1
    Heavy Atom Count21
    Formal Charge0
    Complexity382
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1