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    143157-22-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 143157-22-6, 2-deoxy-2,2-difluoro-d-ribofuranose-3,5-dibenzoate, 1173824-58-2, 2-deoxy-2,2-difluoro-d-erythro-ribofuranose-3,5-dibenzoate, D-erythro-pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate, [(2r,3r)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
    Molecular Formula
    C19H16F2O6
    Molecular Weight
    378.3  g/mol
    InChI Key
    PRZDMMRKPZAYHW-QOYAAKSSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
    2.1.2 InChI
    InChI=1S/C19H16F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15,18,24H,11H2/t14-,15-,18?/m1/s1
    2.1.3 InChI Key
    PRZDMMRKPZAYHW-QOYAAKSSSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)O)(F)F)OC(=O)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C(C(O2)O)(F)F)OC(=O)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 143157-22-6

    2. 2-deoxy-2,2-difluoro-d-ribofuranose-3,5-dibenzoate

    3. 1173824-58-2

    4. 2-deoxy-2,2-difluoro-d-erythro-ribofuranose-3,5-dibenzoate

    5. D-erythro-pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate

    6. [(2r,3r)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl Benzoate

    7. 3,5-di-o-benzoyl-2,2-difluoro-2-deoxyribose

    8. Schembl1030464

    9. Amy38960

    10. Akos005259594

    11. Akos015911107

    12. Bs-49631

    13. Cs-0441822

    14. C90219

    15. 012d089

    16. 2-deoxy-2,2-difluoro-d-ribofuranose-3,5-di Benzoate

    17. 2-deoxy-2,2-difluoro-d-erythropentofuranose 3,5-dibenzoate

    18. 2-deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate

    19. ((2r,3r)-3-(benzoyloxy)-4,4-difluoro-5-hydroxytetrahydrofuran-2-yl)methylbenzoate

    20. (2r,3r)-2-((benzoyloxy)methyl)-4,4-difluoro-5-hydroxyoxolan-3-yl Benzoate

    21. (4r)-3,3-difluoro-4alpha-(benzoyloxy)-5beta-(benzoyloxymethyl)tetrahydrofuran-2-ol

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 378.3 g/mol
    Molecular Formula C19H16F2O6
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass378.09149455 g/mol
    Monoisotopic Mass378.09149455 g/mol
    Topological Polar Surface Area82.1 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity528
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1