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CAS 143491-56-9

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Butanoic acid, [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester

Description:
Butanoic acid, [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester, is a complex organic compound characterized by its unique structural features that include a butanoic acid moiety and a pyrimidine derivative. The presence of the oxathiolane ring contributes to its cyclic structure, while the amino and fluoro substituents enhance its biological activity and potential pharmacological properties. This compound is likely to exhibit moderate solubility in polar solvents due to the presence of both hydrophilic and hydrophobic regions in its structure. Its molecular configuration suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The specific stereochemistry indicated by the (2R,5S) notation suggests that it may have distinct chiral properties, which can influence its reactivity and biological interactions. Overall, this compound's characteristics make it a subject of interest for further research, particularly in the fields of drug development and synthetic chemistry.
Formula:C12H16FN3O4S
InChI:InChI=1S/C12H16FN3O4S/c1-2-3-9(17)19-5-10-20-8(6-21-10)16-4-7(13)11(14)15-12(16)18/h4,8,10H,2-3,5-6H2,1H3,(H2,14,15,18)/t8-,10+/m0/s1
InChI key:InChIKey=DQXKOXQEQONOBG-WCBMZHEXSA-N
SMILES:O=C1N([C@H]2O[C@@H](COC(CCC)=O)SC2)C=C(F)C(N)=N1
Synonyms:
  • Butanoic acid, [5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester, (2R-cis)-
  • 1,3-Oxathiolane, butanoic acid deriv.
  • Butanoic acid, [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester
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