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    CAS 162204-20-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 162204-20-8, 5'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]cytidine 2',3'-diacetate, 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-n4-(pentoxycarbonxyl)cytidine, Gn7y8cg66k, [(2r,3r,4r,5r)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate, 5'-deoxy-5-fluoro-n-{(pentyloxy)carbonyl}cytidine 2',3'-diacetate
    Molecular Formula
    C19H26FN3O8
    Molecular Weight
    443.4  g/mol
    InChI Key
    WMJHGZFQHPCWQZ-GWBBYGMBSA-N
    FDA UNII
    GN7Y8CG66K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R,4R,5R)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1
    2.1.3 InChI Key
    WMJHGZFQHPCWQZ-GWBBYGMBSA-N
    2.1.4 Canonical SMILES
    CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)OC(=O)C)OC(=O)C
    2.1.5 Isomeric SMILES
    CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    GN7Y8CG66K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 162204-20-8

    2. 5'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]cytidine 2',3'-diacetate

    3. 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-n4-(pentoxycarbonxyl)cytidine

    4. Gn7y8cg66k

    5. [(2r,3r,4r,5r)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] Acetate

    6. 5'-deoxy-5-fluoro-n-{(pentyloxy)carbonyl}cytidine 2',3'-diacetate

    7. 2', 3'-di-o-acetyl-5'-deoxy-5-fluoro-n4-(pentoxycarbonxyl)-cytidine

    8. 5'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]cytidine2',3'-diacetate

    9. 5`-deoxy-5-fluore-n-[(pentoyloxy)carbonyl]cytidine 2`,3`-diacetate

    10. Unii-gn7y8cg66k

    11. 5'-deoxy-5-fluoro-n-((pentyloxy)carbonyl)cytidine 2',3'-diacetate

    12. Mfcd07369303

    13. Cytidine, 5'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]-, 2',3'-diacetate

    14. C19h26fn3o8

    15. Cytidine, 5'-deoxy-5-fluoro-n-((pentyloxy)carbonyl)-, 2',3'-diacetate

    16. Ec 700-593-2

    17. Schembl285059

    18. 5'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]-cytidine 2',3'-diacetate

    19. Dtxsid90167333

    20. 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-n-((pentyloxy)carbonyl)cytidine

    21. Zinc35569892

    22. Akos015901455

    23. Ac-23324

    24. Ds-15519

    25. Cs-0152130

    26. D5787

    27. F15184

    28. 204d208

    29. A846437

    30. W-60378

    31. Q27279188

    32. 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-n-(pentyloxycarbonyl)cytidine

    33. 5-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]cytidine 2,3-diacetate

    34. 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]-cytidine

    35. 5''-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]cytidine 2'',3''-diacetate

    36. 5\'-deoxy-5-fluoro-n-[(pentyloxy)carbonyl]cytidine 2\',3\'-diacetate

    37. Carbamic Acid, (1-(2,3-di-o-acetyl-5-deoxy-.beta.-d-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, Pentyl Ester

    38. Pentyl [1-(2,3-di-o-acetyl-5-deoxy-beta-d-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate

    2.4 Create Date
    2010-07-19
    3 Chemical and Physical Properties
    Molecular Weight 443.4 g/mol
    Molecular Formula C19H26FN3O8
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count11
    Exact Mass443.17039296 g/mol
    Monoisotopic Mass443.17039296 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity784
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1