CAS 784-71-4

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 784-71-4, 2'-fluoro-2'-deoxyuridine, Uridine, 2'-deoxy-2'-fluoro-, 2'-deoxy-2'-fluoro-uridine, Y2yc903qw8, 1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Molecular Formula

C₉H₁₁FN₂O₅

Molecular Weight

246.19 g/mol

InChI Key

UIYWFOZZIZEEKJ-XVFCMESISA-N

FDA UNII

Y2YC903QW8

1 2D Structure

CAS 784-71-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1

2.1.3 InChI Key

UIYWFOZZIZEEKJ-XVFCMESISA-N

2.1.4 Canonical SMILES

C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F

2.1.5 Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F

2.2 Other Identifiers

2.2.1 UNII

Y2YC903QW8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2'fluoro-2'-deoxyuridine

2. 2'fluoro-2'-deoxyuridine (2fdu)

3. 2fdu

2.3.2 Depositor-Supplied Synonyms

1. 784-71-4

2. 2'-fluoro-2'-deoxyuridine

3. Uridine, 2'-deoxy-2'-fluoro-

4. 2'-deoxy-2'-fluoro-uridine

5. Y2yc903qw8

6. 1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

7. 622785-69-7

8. 2'-deoxy-2'-fluoro-l-uridine

9. Mfcd01317293

10. 2'fluoro-2'-deoxyuridine

11. Unii-y2yc903qw8

12. 1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)pyrimidine-2,4-dione

13. 1-(2-deoxy-2-fluoro-b-d-arabinofuranosyl)uracil

14. 2'-deoxy-2'- Fluorouridine

15. Schembl221951

16. 2''-fluoro-2''-deoxyuridine

17. Chembl2385615

18. Dtxsid50999738

19. 2'-deoxy-2'-(r)-fluoro-uridine

20. Zinc4016691

21. Hg1163

22. Stk368458

23. Akos015896926

24. Cs-w014119

25. Hy-w013403

26. 1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione

27. 1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

28. Ds-10495

29. 1-(2-deoxy-2-fluoro-beta-d-ribofuranosyl)uracil

30. 784d714

31. A839431

32. J-700032

33. Q27294189

34. 1-(2-deoxy-2-fluoro-.beta,-d-ribofuranosyl)uracil

35. 1-(2-deoxy-2-fluoropentofuranosyl)-4-hydroxypyrimidin-2(1h)-one

36. 1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

37. 1-((2s,3s,4s,5s)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione;2'-deoxy-2'-fluorouridine; 2-fdu

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁FN₂O₅
Molecular Weight	246.19 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	246.06519962 g/mol
Monoisotopic Mass	246.06519962 g/mol
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	374
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