Chem
J-GLOBAL ID：200907018812462543   Nikkaji number：J732.120A

1-[4α-Hydroxy-5β-(hydroxymethyl)thiolan-2-yl]-5-fluorouracil

1-[4α-ヒドロキシ-5β-(ヒドロキシメチル)チオラン-2-イル]-5-フルオロウラシル
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： C9H11FN2O4S
Molecular formula furigana： C9-H11-F-N2-O4-S
Molecular weight： 262.260
InChI： InChI=1S/C9H11FN2O4S/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7?/m0/s1
InChI key： HATHUUNZZPIWIN-GFCOJPQKSA-N
SMILES： OC[C@H]1SC(C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Systematic name  (3)：
  • 1-[4α-ヒドロキシ-5β-(ヒドロキシメチル)チオラン-2-イル]-5-フルオロウラシル
  • 5-フルオロ-1-[(4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)チオラン-2-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-fluoro-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 1-[4α-Hydroxy-5β-(hydroxymethyl)thiolan-2-yl]-5-fluorouracil
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