Chem
J-GLOBAL ID：200907019206007241   Nikkaji number：J707.459J

2′,3′-O-Bis(2,4,6-trinitrophenyl)ATP

2′,3′-O-ビス(2,4,6-トリニトロフェニル)ATP
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： C22H18N5[N+]6O19[O-]6P3
Molecular formula furigana： C22-H18-N11-O25-P3
Molecular weight： 929.359
InChI： InChI=1S/C22H18N11O25P3/c23-20-15-21(25-6-24-20)27(7-26-15)22-19(56-17-12(32(42)43)3-9(29(36)37)4-13(17)33(44)45)18(14(54-22)5-53-60(49,50)58-61(51,52)57-59(46,47)48)55-16-10(30(38)39)1-8(28(34)35)2-11(16)31(40)41/h1-4,6-7,14,18-19,22H,5H2,(H,49,50)(H,51,52)(H2,23,24,25)(H2,46,47,48)/t14-,18-,19-,22-/m1/s1
InChI key： VUWWTPVVIGZVDX-RCAWKPMRSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[C@H]1Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (4)：
  • 2′-O,3′-O-ビス(2,4,6-トリニトロフェニル)アデノシン5′-三りん酸
  • 2′-O,3′-O-ジ(2,4,6-トリニトロフェニル)アデノシン5′-三りん酸
  • ({[({[(2R,3R,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ビス(2,4,6-トリニトロフェノキシ)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](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-bis(2,4,6-trinitrophenoxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (4)：
  • 2′-O,3′-O-Di(2,4,6-trinitrophenyl)adenosine 5′-triphosphoric acid
  • 2′-O,3′-O-Bis(2,4,6-trinitrophenyl)adenosine 5′-triphosphoric acid
  • 2′,3′-O-ビス(2,4,6-トリニトロフェニル)ATP
  • 2′,3′-O-Bis(2,4,6-trinitrophenyl)ATP
Thsaurus map：
Thesaurus Map

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