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2D Structure
Also known as: Bromoouridine, Radibud, Brudr, 5-budr, Mls002702842, Chembl277625
Molecular Formula
C9H11BrN2O5
Molecular Weight
307.10  g/mol
InChI Key
WOVKYSAHUYNSMH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
2.1.3 InChI Key
WOVKYSAHUYNSMH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Bromoouridine

2. Radibud

3. Brudr

4. 5-budr

5. Mls002702842

6. Chembl277625

7. 5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

8. Nsc 38297

9. 5-bromo-1-(2-deoxypentofuranosyl)pyrimidine-2,4(1h,3h)-dione

10. Bromodeoxyuridine (brdu)

11. (+)-5-bromo-2'-deoxyuridine

12. Mfcd00006529

13. Bdu

14. 2'-deoxy-5-bromouridine

15. 5-bromo-2?-deoxyuridine

16. Schembl27756

17. Cid_236184

18. Wovkysahuynsmh-uhfffaoysa-

19. Dtxsid00859035

20. 5-bromo-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

21. Nsc38297

22. Bbl100003

23. Bdbm50016787

24. Stl510779

25. Ls-13619

26. Nci60_003667

27. Smr001550589

28. Sy019490

29. Db-053327

30. Wln: T6nvmvj Ee A- Et5otj B1q Cq

31. Ft-0620085

32. 5-bromo-2 Inverted Exclamation Mark -deoxyuridine

33. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

34. Broxuridine, Broxuridine (5-bromouracil Deoxyriboside, 5-bromo-2'-deoxyuridine)

35. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione (c-5-bromo-2-deoxyuridine)

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

37. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione(bromodeoxyuridine)

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 307.10 g/mol
Molecular Formula C9H11BrN2O5
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass305.98513 g/mol
Monoisotopic Mass305.98513 g/mol
Topological Polar Surface Area99.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1