Chem
J-GLOBAL ID：200907060402087440   Nikkaji number：J2.523.049C

Phosphoric acid bis(2′-deoxy-5′-adenosyl) ester

りん酸ビス(2′-デオキシ-5′-アデノシル)
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： C20H25N10O8P
Molecular formula furigana： C20-H25-N10-O8-P
Molecular weight： 564.456
InChI： InChI=1S/C20H25N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(31)11(37-13)3-35-39(33,34)36-4-12-10(32)2-14(38-12)30-8-28-16-18(22)24-6-26-20(16)30/h5-14,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)/t9-,10-,11+,12+,13+,14+/m0/s1
InChI key： PPQXTUORNPDZDR-PRSXHHODSA-N
SMILES： Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OC[C@H]2O[C@H](C[C@@H]2O)n2cnc3c(N)ncnc23)O1
Systematic name  (3)：
  • りん酸ビス(2′-デオキシ-5′-アデノシル)
  • ビス({[(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
  • bis({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (1)：
  • Phosphoric acid bis(2′-deoxy-5′-adenosyl) ester
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