Chem
J-GLOBAL ID：201507001299990625   Nikkaji number：J3.332.527D

2-Ethynyl-5′-fluoro-5′-deoxyadenosine

2-エチニル-5′-フルオロ-5′-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： C12H12FN5O3
Molecular formula furigana： C12-H12-F-N5-O3
Molecular weight： 293.258
InChI： InChI=1S/C12H12FN5O3/c1-2-6-16-10(14)7-11(17-6)18(4-15-7)12-9(20)8(19)5(3-13)21-12/h1,4-5,8-9,12,19-20H,3H2,(H2,14,16,17)/t5-,8-,9-,12-/m1/s1
InChI key： QQEYBKXSSQIJRJ-JJNLEZRASA-N
SMILES： Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O)C#C
Systematic name  (3)：
  • 2-エチニル-5′-フルオロ-5′-デオキシアデノシン
  • (2R,3R,4S,5S)-2-(6-アミノ-2-エチニル-9H-プリン-9-イル)-5-(フルオロメチル)オキソラン-3,4-ジオール
  • (2R,3R,4S,5S)-2-(6-amino-2-ethynyl-9H-purin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
Other name (1)：
  • 2-Ethynyl-5′-fluoro-5′-deoxyadenosine
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