Chem
J-GLOBAL ID:200907002627822947   Nikkaji number:J1.160.397A

1-[3α-Fluoro-4β-hydroxy-5α-(hydroxymethyl)tetrahydrothiophene-2β-yl]-5-iodocytosine

1-[3α-フルオロ-4β-ヒドロキシ-5α-(ヒドロキシメチル)テトラヒドロチオフェン-2β-イル]-5-ヨードシトシン
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: C9H11FIN3O3S
Molecular formula furigana: C9-H11-F-I-N3-O3-S
Molecular weight: 387.170
InChI: InChI=1S/C9H11FIN3O3S/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8+/m0/s1
InChI key: XJZKYQLVDZDHMG-SKHQTKALSA-N
SMILES: Nc1nc(=O)n(cc1I)[C@@H]1S[C@@H](CO)[C@H](O)[C@H]1F
Systematic name  (3):
  • 1-[3α-フルオロ-4β-ヒドロキシ-5α-(ヒドロキシメチル)テトラヒドロチオフェン-2β-イル]-5-ヨードシトシン
  • 4-アミノ-1-[(2R,3R,4R,5S)-3-フルオロ-4-ヒドロキシ-5-(ヒドロキシメチル)チオラン-2-イル]-5-ヨード-1,2-ジヒドロピリミジン-2-オン
  • 4-amino-1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-iodo-1,2-dihydropyrimidin-2-one
Other name (1):
  • 1-[3α-Fluoro-4β-hydroxy-5α-(hydroxymethyl)tetrahydrothiophene-2β-yl]-5-iodocytosine
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