Chem
J-GLOBAL ID：200907062402544177   Nikkaji number：J1.112.712F

5′-O-[[[(Dihydroxyoxoarsoranyl)methyl]phosphonyloxy]phosphonyl]adenosine

5′-O-[[[(ジヒドロキシオキソアルソラニル)メチル]ホスホニルオキシ]ホスホニル]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： C11H18AsN5O12P2
Molecular formula furigana： C11-H18-AS-N5-O12-P2
Molecular weight： 549.157
InChI： InChI=1S/C11H18AsN5O12P2/c13-9-6-10(15-3-14-9)17(4-16-6)11-8(19)7(18)5(28-11)1-27-31(25,26)29-30(23,24)2-12(20,21)22/h3-5,7-8,11,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
InChI key： KHQOAQLQNLUEQN-IOSLPCCCSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C[As](=O)(O)O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 5′-O-[[[(ジヒドロキシオキソアルソラニル)メチル]ホスホニルオキシ]ホスホニル]アデノシン
  • {[(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}({[(アルソノメチル)(ヒドロキシ)ホスホリル]オキシ})ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(arsonomethyl)(hydroxy)phosphoryl]oxy})phosphinic acid
Other name (1)：
  • 5′-O-[[[(Dihydroxyoxoarsoranyl)methyl]phosphonyloxy]phosphonyl]adenosine
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