chempirical

3′-Fluorothymidine

C10H13FN2O4CAS 25526-93-6244.22 g/mol

Open in Covalent MOL file
NFHOOONHO
AlcoholAlkyl halideEtherPhenol

Properties

Molecular formula
C10H13FN2O4
Molar mass
244.22 g/mol
Exact mass
244.0859 Da
Melting point
176–178 °C
logP
-0.12Crippen estimate
Polar surface area
84.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
25526-93-6
SMILES
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)nc1O
InChIKey
UXCAQJAQSWSNPQ-XLPZGREQSA-N
InChI
InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • Thymidine, 3′-deoxy-3′-fluoro-
  • 3′-Deoxy-3′-fluorothymidine
  • 1-(3′-Deoxy-3′-fluoro-β-D-pentofuranosyl)thymine
  • 3′-Fluorodeoxythymidine
  • 3′-Fluoro-3′-deoxythymidine
  • FLT
  • Alovudine
  • CL 184824
  • NSC 140025
  • MIV 310
  • 3′-Fluoro-2′,3′-dideoxythymidine

Work with 3′-Fluorothymidine

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

Telbivudine3424-98-474 % similar Thymidine50-89-574 % similar Azidothymidine30516-87-165 % similar Clevudine163252-36-663 % similar 5-Methyluridine1463-10-161 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-261 % similar Floxuridine50-91-957 % similar 5-Iodo-2′-deoxyuridine54-42-257 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook