Chem
J-GLOBAL ID：200907000976119703   Nikkaji number：J1.816.882K

1-[3α,4α-Dihydroxy-4-ethynyl-5β-(hydroxymethyl)tetrahydrothiophene-2β-yl]cytosine

1-[3α,4α-ジヒドロキシ-4-エチニル-5β-(ヒドロキシメチル)テトラヒドロチオフェン-2β-イル]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： C11H13N3O4S
Molecular formula furigana： C11-H13-N3-O4-S
Molecular weight： 283.300
InChI： InChI=1S/C11H13N3O4S/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1
InChI key： GFUJUVRFDLLTKM-DYUFWOLASA-N
SMILES： Nc1ccn([C@@H]2S[C@H](CO)[C@](O)(C#C)[C@H]2O)c(=O)n1
Systematic name  (3)：
  • 1-[3α,4α-ジヒドロキシ-4-エチニル-5β-(ヒドロキシメチル)テトラヒドロチオフェン-2β-イル]シトシン
  • 4-アミノ-1-[(2R,3R,4S,5R)-4-エチニル-3,4-ジヒドロキシ-5-(ヒドロキシメチル)チオラン-2-イル]-1,2-ジヒドロピリミジン-2-オン
  • 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2-dihydropyrimidin-2-one
Other name (1)：
  • 1-[3α,4α-Dihydroxy-4-ethynyl-5β-(hydroxymethyl)tetrahydrothiophene-2β-yl]cytosine
Thsaurus map：
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