Chem
J-GLOBAL ID：200907080477114303   Nikkaji number：J1.475.772D

3′-O-(2′-Deoxy-5′-adenylyl)-2′-deoxycytidine

3′-O-(2′-デオキシ-5′-アデニリル)-2′-デオキシシチジン
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： C19H25N8O9P
Molecular formula furigana： C19-H25-N8-O9-P
Molecular weight： 540.430
InChI： InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1
InChI key： LYWWDKIADIGKTH-IDMWBNCISA-N
SMILES： Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](CO)O2)c(=O)n1
Systematic name  (4)：
  • 5′-O-(2′-デオキシ-3′-シチジリル)-2′-デオキシアデノシン
  • 3′-O-(2′-デオキシ-5′-アデニリル)-2′-デオキシシチジン
  • {[(2R,3S,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}({[(2R,3S,5R)-5-(6-アミノ-9H-プリン-9-イル)-3-ヒドロキシオキソラン-2-イル]メトキシ})ホスフィン酸
  • {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (2)：
  • 5′-O-(2′-Deoxy-3′-cytidylyl)-2′-deoxyadenosine
  • 3′-O-(2′-Deoxy-5′-adenylyl)-2′-deoxycytidine
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