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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Clevudine163252-36-6

Similar compounds

2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-767 % similar 2'-Fluoro-2'-deoxyuridine784-71-462 % similar 5-Chlorouridine2880-89-957 % similar 5-Ethynyl uridine69075-42-954 % similar 2',3'-Dideoxythymidine3416-05-554 % similar Fialuridine69123-98-452 % similar 2'-Deoxy-2'-fluoroguanosine78842-13-451 % similar 1-((1S,3R,4R,7S)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione206055-67-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine863329-66-2

Elsewhere

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