chempirical

Fialuridine

C9H10FIN2O5CAS 69123-98-4372.09 g/mol

Open in Covalent MOL file
ONOHINOHOHOF
AlcoholAlkyl halideAryl halideEtherPhenol

Properties

Molecular formula
C9H10FIN2O5
Molar mass
372.09 g/mol
Exact mass
371.9618 Da
Melting point
216–217 °C
logP
-0.86Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
69123-98-4
SMILES
O=c1nc(O)c(I)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIKey
IPVFGAYTKQKGBM-BYPJNBLXSA-N
InChI
InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-iodo-
  • 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione
  • 1-(2′-Deoxy-2′-fluoro-β-D-arabinofuranosyl)-5-iodouracil
  • 5-Iodo-2′-fluoroarauracil
  • 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-iodouracil
  • FIAU
  • Fluoroiodoarauracil
  • NSC 678514

Work with Fialuridine

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-Iodouridine1024-99-380 % similar Clevudine163252-36-677 % similar 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-065 % similar 5-Methyluridine1463-10-161 % similar 5-Fluorouridine316-46-161 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-261 % similar 5-Hydroxyuridine957-77-760 % similar 5-Iodo-2′-deoxyuridine54-42-260 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook