Chem
J-GLOBAL ID：200907023699210862   Nikkaji number：J1.241.494C

4-Amino-5-fluoro-1-[(2R)-2β-[(phosphonooxy)methyl]-1,3-oxathiolane-5β-yl]pyrimidine-2(1H)-one

4-アミノ-5-フルオロ-1-[(2R)-2β-[(ホスホノオキシ)メチル]-1,3-オキサチオラン-5β-イル]ピリミジン-2(1H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C8H11FN3O6PS
Molecular formula furigana： C8-H11-F-N3-O6-P-S
Molecular weight： 327.220
InChI： InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
InChI key： WQOMZMVXTRGMHZ-NTSWFWBYSA-N
SMILES： Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](COP(=O)(O)O)O1
Systematic name  (3)：
  • 4-アミノ-5-フルオロ-1-[(2R)-2β-[(ホスホノオキシ)メチル]-1,3-オキサチオラン-5β-イル]ピリミジン-2(1H)-オン
  • {[(2R,5S)-5-(4-アミノ-5-フルオロ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-1,3-オキサチオラン-2-イル]メトキシ}ホスホン酸
  • {[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy}phosphonic acid
Other name (1)：
  • 4-Amino-5-fluoro-1-[(2R)-2β-[(phosphonooxy)methyl]-1,3-oxathiolane-5β-yl]pyrimidine-2(1H)-one
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