chempirical

Doxifluridine

C9H11FN2O5CAS 3094-09-5246.19 g/mol

Open in Covalent MOL file
ONFOHNOOHHO
AlcoholAryl halideEtherPhenol

Properties

Molecular formula
C9H11FN2O5
Molar mass
246.19 g/mol
Exact mass
246.0652 Da
Melting point
190 °C
logP
-1.27Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
1
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
3094-09-5
SMILES
C[C@H]1O[C@@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O
InChIKey
ZWAOHEXOSAUJHY-ZIYNGMLESA-N
InChI
InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • Uridine, 5′-deoxy-5-fluoro-
  • 5′-Deoxy-5-fluorouridine
  • Ro 21-9738
  • 5-Fluoro-5′-deoxyuridine
  • 5-Fluorodesoxyuridine
  • 5′-DFUR
  • Furtulon
  • 5′-dFUrd
  • Flutron
  • Fulturon

Work with Doxifluridine

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-Fluorouridine316-46-168 % similar 5′-Deoxy-5-fluorocytidine66335-38-459 % similar Capecitabine154361-50-956 % similar 5-Methyluridine1463-10-150 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-250 % similar 5-Hydroxyuridine957-77-749 % similar Tegafur17902-23-749 % similar 5-Iodouridine1024-99-347 % similar

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

Same formula

Floxuridine50-91-9 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-0

Elsewhere

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