chempirical

2'-Fluorothymidine

C10H13FN2O5CAS 122799-38-6260.22 g/mol

Open in Covalent MOL file
NOHNOOHOOHF
AlcoholAlkyl halideEther

Properties

Molecular formula
C10H13FN2O5
Molar mass
260.22 g/mol
Exact mass
260.0808 Da
logP
-1.57Crippen estimate
Polar surface area
104.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
122799-38-6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
InChIKey
GBBJCSTXCAQSSJ-JXOAFFINSA-N
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • 2'-Deoxy-2'-fluorothymidine

Work with 2'-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

Fialuridine69123-98-452 % similar 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-048 % similar 5-Methyluridine1463-10-146 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-246 % similar 2′-Deoxy-2′-fluorocytidine10212-20-143 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-643 % similar 5-Methyl-2′-O-methyluridine55486-09-442 % similar 5-Methylcytidine2140-61-641 % similar

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

Same formula

Clevudine163252-36-6 (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine863329-66-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook