Chem
J-GLOBAL ID:200907050063939851   Nikkaji number:J1.150.320I

N-Phenyl-5′-O-[[[[(dihydroxyphosphinyl)amino]hydroxyphosphinyl]oxy]hydroxyphosphinyl]adenosine

N-フェニル-5′-O-[[[[(ジヒドロキシホスフィニル)アミノ]ヒドロキシホスフィニル]オキシ]ヒドロキシホスフィニル]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: C16H21N6O12P3
Molecular formula furigana: C16-H21-N6-O12-P3
Molecular weight: 582.295
InChI: InChI=1S/C16H21N6O12P3/c23-12-10(6-32-37(30,31)34-36(28,29)21-35(25,26)27)33-16(13(12)24)22-8-19-11-14(17-7-18-15(11)22)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,30,31)(H,17,18,20)(H4,21,25,26,27,28,29)/t10-,12-,13-,16-/m1/s1
InChI key: MGXREALPPYAGIP-XNIJJKJLSA-N
SMILES: O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Systematic name  (3):
  • N-フェニル-5′-O-[[[[(ジヒドロキシホスフィニル)アミノ]ヒドロキシホスフィニル]オキシ]ヒドロキシホスフィニル]アデノシン
  • ({[({[(2R,3S,4R,5R)-3,4-ジヒドロキシ-5-[6-(フェニルアミノ)-9H-プリン-9-イル]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](ヒドロキシ)ホスホリル}アミノ)ホスホン酸
  • ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(phenylamino)-9H-purin-9-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid
Other name (1):
  • N-Phenyl-5′-O-[[[[(dihydroxyphosphinyl)amino]hydroxyphosphinyl]oxy]hydroxyphosphinyl]adenosine
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