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    CAS 62211-93-2

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 62211-93-2, (2s,3r,4r,5r)-5-methyltetrahydrofuran-2,3,4-triyl triacetate, 1,2,3-tri-o-acetyl-5-deoxy-b-d-ribofuranose, [(2r,3r,4r,5s)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate, 5-deoxy-1,2,3-triacetyl-5-deoxy-beta-d-ribose, Mfcd08458459
    Molecular Formula
    C11H16O7
    Molecular Weight
    260.24  g/mol
    InChI Key
    NXEJETQVUQAKTO-PRTGYXNQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R,4R,5S)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11+/m1/s1
    2.1.3 InChI Key
    NXEJETQVUQAKTO-PRTGYXNQSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 62211-93-2

    2. (2s,3r,4r,5r)-5-methyltetrahydrofuran-2,3,4-triyl Triacetate

    3. 1,2,3-tri-o-acetyl-5-deoxy-b-d-ribofuranose

    4. [(2r,3r,4r,5s)-4,5-diacetyloxy-2-methyloxolan-3-yl] Acetate

    5. 5-deoxy-1,2,3-triacetyl-5-deoxy-beta-d-ribose

    6. Mfcd08458459

    7. Schembl332385

    8. Chembl3245957

    9. Dtxsid20958236

    10. Zinc26892827

    11. 1,2,3-triacetoxy-5-deoxy-d-ribose

    12. Akos015951152

    13. Bcp9000034

    14. Cs-w003521

    15. B-d-ribofuranose, 5-deoxy-, Triacetate

    16. As-16067

    17. 1,2,3-tri-o-acetyl-5-deoxypentofuranose

    18. T2607

    19. 1,2,3-triacetyl-5-deoxy-beta-d-riboturanose

    20. B-d-ribofuranose, 5-deoxy-,1,2,3-triacetate

    21. 5-deoxy-1,2,3-tri-o-acetyl-beta-d-ribofuranose

    22. 211t932

    23. W-60070

    24. 1,2,3-tri-o-acetyl-5-deoxy-.beta.-d-ribofuranose

    25. Q-200585

    26. 1-o,2-o,3-o-triacetyl-5-deoxy-beta-d-ribofuranose

    27. (2s,3r,4r,5r)-5-methyltetrahydrofuran-2,3,4-triyltriacetate

    2.3 Create Date
    2006-10-28
    3 Chemical and Physical Properties
    Molecular Weight 260.24 g/mol
    Molecular Formula C11H16O7
    XLogP30.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass260.08960285 g/mol
    Monoisotopic Mass260.08960285 g/mol
    Topological Polar Surface Area88.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity351
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1