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    CAS 863329-66-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 863329-66-2, Psi-6206, 2'-deoxy-2'-fluoro-2'-c-methyluridine, Ro-2433, Psi6206, Gs-331007
    Molecular Formula
    C10H13FN2O5
    Molecular Weight
    260.22  g/mol
    InChI Key
    ARKKGZQTGXJVKW-VPCXQMTMSA-N
    FDA UNII
    44V7045CXS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1
    2.1.3 InChI Key
    ARKKGZQTGXJVKW-VPCXQMTMSA-N
    2.1.4 Canonical SMILES
    CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F
    2.1.5 Isomeric SMILES
    C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    44V7045CXS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2'-deoxy-2'-fluoro-2'-c-methyluridine

    2. Psi-6206

    2.3.2 Depositor-Supplied Synonyms

    1. 863329-66-2

    2. Psi-6206

    3. 2'-deoxy-2'-fluoro-2'-c-methyluridine

    4. Ro-2433

    5. Psi6206

    6. Gs-331007

    7. 1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione

    8. (2'r)-2'-deoxy-2'-fluoro-2'-methyluridine

    9. (2'r)-2'-deoxy-2'-fluoro-2'-methyl-uridine

    10. Ro 2433

    11. 1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl)pyrimidine-2,4-dione

    12. 44v7045cxs

    13. 2'-deoxy-2'-fluoro-2'-methyluridine

    14. Gs-331007 (psi-6206)

    15. Mfcd19982668

    16. Unii-44v7045cxs

    17. C10h13fn2o5

    18. 1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione

    19. 1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

    20. Gs 331007

    21. Schembl768095

    22. Chembl510394

    23. Ammd00046

    24. Dtxsid30462011

    25. Ex-a2144

    26. Nsc796320

    27. Ro2433

    28. S5307

    29. Zinc40380308

    30. Akos016008997

    31. Am84275

    32. Ccg-267052

    33. Cs-0630

    34. Nsc-796320

    35. Ncgc00379006-04

    36. (2r)-2-deoxy-2-fluoro-2-methyluridine

    37. Ac-27383

    38. As-20013

    39. Gs331007

    40. Hy-15236

    41. 2'-deoxy-2'-fluoro-2'-c-methyl-uridine

    42. 2'beta-methyl-2'-fluoro-2'-deoxyuridine

    43. P12685

    44. Ro 2433;ro2433;ro-2433

    45. Uridine,2'-deoxy-2'-fluoro-2'-methyl-,(2'r)

    46. J-700003

    47. Beta-d-2'-deoxy-2'-alpha-f-2'-beta-c-methyluridine

    48. Q27258768

    49. 1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-hydroxymethyl-3-methyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

    50. 1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

    51. 2'-deoxy-2'-fluoro-2'-c-methyluridine; Uridine, 2'-deoxy-2'-fluoro-2'-methyl-, (2'r)-; Unii-44v7045cxs

    52. 2-deoxy-2-fluoro-2-c -methyluridine; 1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 260.22 g/mol
    Molecular Formula C10H13FN2O5
    XLogP3-1.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass260.08084968 g/mol
    Monoisotopic Mass260.08084968 g/mol
    Topological Polar Surface Area99.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity415
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1