Chem
J-GLOBAL ID：201007056579525254   Nikkaji number：J2.783.219I

pdCpA

3′-O-(5′-アデニリル)-2′-デオキシシチジン5′-りん酸
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： C19H26N8O13P2
Molecular formula furigana： C19-H26-N8-O13-P2
Molecular weight： 636.408
InChI： InChI=1S/C19H26N8O13P2/c20-11-1-2-26(19(30)25-11)12-3-8(9(38-12)4-36-41(31,32)33)40-42(34,35)37-5-10-14(28)15(29)18(39-10)27-7-24-13-16(21)22-6-23-17(13)27/h1-2,6-10,12,14-15,18,28-29H,3-5H2,(H,34,35)(H2,20,25,30)(H2,21,22,23)(H2,31,32,33)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
InChI key： UUBWXCHLJHRYJT-LNAOLWRRSA-N
SMILES： Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](COP(=O)(O)O)O2)c(=O)n1
Systematic name  (5)：
  • 2′-デオキシシチジン3′,5′-ビスりん酸3′-(5′-アデノシル)
  • 3′-O-(5′-アデニリル)-2′-デオキシシチジン5′-りん酸
  • 5′-O-(5′-O-ホスホノ-2′-デオキシ-3′-シチジリル)アデノシン
  • {[(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)-3-[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]オキソラン-2-イル]メトキシ}ホスホン酸
  • {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methoxy}phosphonic acid
Other name (4)：
  • 2′-Deoxycytidine 3′,5′-bisphosphoric acid 3′-(5′-adenosyl) ester
  • 3′-O-(5′-Adenylyl)-2′-deoxycytidine 5′-phosphoric acid
  • 5′-O-(5′-O-Phosphono-2′-deoxy-3′-cytidylyl)adenosine
  • pdCpA
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