CAS 863329-66-2

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15 Related Intermediates

Chemistry

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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

CAS 863329-66-2

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 Formula	C₁₀H₁₃FN₂O₅
Molecular Weight	260.22 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	260.08084968 g/mol
Monoisotopic Mass	260.08084968 g/mol
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1