Chem
J-GLOBAL ID：201507006537300295   Nikkaji number：J3.413.944J

EdAP

2′-デオキシ-4′-エチニル-5′-O-(2-オキソ-5,6-[1,3]ブタジエノ-5,6-ジデヒドロ-1,3,2-ジオキサホスホリナン-2-イル)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： C19H18N5O6P
Molecular formula furigana： C19-H18-N5-O6-P
Molecular weight： 443.356
InChI： InChI=1S/C19H18N5O6P/c1-2-19(9-28-31(26)27-8-12-5-3-4-6-13(12)30-31)14(25)7-15(29-19)24-11-23-16-17(20)21-10-22-18(16)24/h1,3-6,10-11,14-15,25H,7-9H2,(H2,20,21,22)/t14-,15+,19+,31?/m0/s1
InChI key： BTCYZJBHSIZQMT-OCFCPHTISA-N
SMILES： Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@](COP2(=O)OCc3ccccc3O2)(O1)C#C
Systematic name  (3)：
  • 2′-デオキシ-4′-エチニル-5′-O-(2-オキソ-5,6-[1,3]ブタジエノ-5,6-ジデヒドロ-1,3,2-ジオキサホスホリナン-2-イル)アデノシン
  • 2-{[(2R,3S,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-エチニル-3-ヒドロキシオキソラン-2-イル]メトキシ}-2,4-ジヒドロ-1,3,2λ5-ベンゾジオキサホスフィニン-2-オン
  • 2-{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy}-2,4-dihydro-1,3,2λ5-benzodioxaphosphinin-2-one
Other name (2)：
  • 2′-Deoxy-4′-ethynyl-5′-O-(2-oxo-5,6-[1,3]butadieno-5,6-didehydro-1,3,2-dioxaphosphorinane-2-yl)adenosine
  • EdAP
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