Chem
J-GLOBAL ID：200907017276978772   Nikkaji number：J1.445.865D

4'-Ethynyl-2'-deoxyadenosine

4′-エチニル-2′-デオキシアデノシン
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： C12H13N5O3
Molecular formula furigana： C12-H13-N5-O3
Molecular weight： 275.268
InChI： InChI=1S/C12H13N5O3/c1-2-12(4-18)7(19)3-8(20-12)17-6-16-9-10(13)14-5-15-11(9)17/h1,5-8,18-19H,3-4H2,(H2,13,14,15)/t7-,8+,12+/m0/s1
InChI key： HMIGVKANVVLEOA-JOAULVNJSA-N
SMILES： Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@](CO)(O1)C#C
Systematic name  (4)：
  • 9-(4-C-エチニル-2-デオキシ-β-D-ribo-ペントフラノシル)-9H-プリン-6-アミン
  • 4′-エチニル-2′-デオキシアデノシン
  • (2R,3S,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-エチニル-2-(ヒドロキシメチル)オキソラン-3-オール
  • (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
Other name (2)：
  • 9-(4-C-Ethynyl-2-deoxy-β-D-ribo-pentofuranosyl)-9H-purine-6-amine
  • 4′-Ethynyl-2′-deoxyadenosine
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