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

CAS Registry Number®

143491-56-9
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CAS Name

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

Molecular Formula

C12H16FN3O4S

Molecular Mass

317.34

Cite this Page

Butanoic acid, [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143491-56-9 (retrieved 2024-08-10) (CAS RN: 143491-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=DQXKOXQEQONOBG-WCBMZHEXSA-N

SMILES

O=C1N([C@H]2O[C@@H](COC(CCC)=O)SC2)C=C(F)C(N)=N1

Canonical SMILES

O=C1N=C(N)C(F)=CN1C2OC(SC2)COC(=O)CCC

Other Names for this Substance

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