1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione

C9H11FN2O5CAS 69123-94-0246.19 g/mol

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ONOHNOHOHOF
AlcoholAlkyl halideEtherPhenol

Properties

Molecular formula
C9H11FN2O5
Molar mass
246.19 g/mol
Exact mass
246.0652 Da
Melting point
161–162 °C
logP
-1.46Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, R, R, Sin 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
69123-94-0
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIKey
UIYWFOZZIZEEKJ-PXBUCIJWSA-N
InChI
InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1

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Names and synonyms

2 names
  • 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-
  • NUK-7

Work with 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione

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.

2'-Fluoro-2'-deoxyuridine784-71-4

Similar compounds

Uracil arabinoside3083-77-079 % similar Uridine58-96-879 % similar 2′-O-Methyluridine2140-76-370 % similar Clevudine163252-36-665 % similar Fialuridine69123-98-465 % similar 2′-Azido-2′-deoxyuridine26929-65-765 % similar 2′-Deoxy-2′-fluorocytidine10212-20-163 % similar 3'-Fluoro-3'-deoxycytidine123402-20-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Doxifluridine3094-09-5 Floxuridine50-91-9

Elsewhere

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