Chem
J-GLOBAL ID：200907039247341262   Nikkaji number：J794.572H

Adenosine 5′-[α,β-imide]triphosphoric acid

アデノシン5′-[α,β-イミド]三りん酸
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： C10H17N6O12P3
Molecular formula furigana： C10-H17-N6-O12-P3
Molecular weight： 506.197
InChI： InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-29(19,20)15-30(21,22)28-31(23,24)25/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H2,23,24,25)(H3,15,19,20,21,22)/t4-,6-,7-,10-/m1/s1
InChI key： WUPFAKUEHUVIDK-KQYNXXCUSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)NP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • アデノシン5′-[α,β-イミド]三りん酸
  • アデノシン5′-[N-(ホスホノオキシホスホニル)アミドりん酸]
  • ({[({[(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)アミノ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (2)：
  • Adenosine 5′-[α,β-imide]triphosphoric acid
  • Adenosine 5′-[N-(phosphonooxyphosphonyl)amidophosphoric acid]
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