chempirical

5-Bromouridine

C9H11BrN2O6CAS 957-75-5323.10 g/mol

Open in Covalent MOL file
ONOHBrNOHOHOOH
AlcoholAryl halideEtherPhenol

Properties

Molecular formula
C9H11BrN2O6
Molar mass
323.10 g/mol
Exact mass
321.9800 Da
Melting point
181–184 °C (decomposes)
logP
-1.68Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
957-75-5
SMILES
O=c1nc(O)c(Br)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
AGFIRQJZCNVMCW-UAKXSSHOSA-N
InChI
InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Uridine, 5-bromo-
  • (-)-5-Bromouridine
  • NSC 38296
  • 4-Amino-5-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Work with 5-Bromouridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Hydroxyuridine957-77-775 % similar 5-Methyluridine1463-10-172 % similar 5-Fluorouridine316-46-172 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-272 % similar Bromodeoxyuridine59-14-364 % similar Uracil arabinoside3083-77-063 % similar Uridine58-96-863 % similar Clevudine163252-36-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia