Chem
J-GLOBAL ID：200907060379428927   Nikkaji number：J1.877.184E

P3-[1-(4,5-Dimethoxy-2-nitrophenyl)ethyl]ATP

P3-[1-(4,5-ジメトキシ-2-ニトロフェニル)エチル]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： C20H27N5[N+]O16[O-]P3
Molecular formula furigana： C20-H27-N6-O17-P3
Molecular weight： 716.382
InChI： InChI=1S/C20H27N6O17P3/c1-9(10-4-12(37-2)13(38-3)5-11(10)26(29)30)41-45(33,34)43-46(35,36)42-44(31,32)39-6-14-16(27)17(28)20(40-14)25-8-24-15-18(21)22-7-23-19(15)25/h4-5,7-9,14,16-17,20,27-28H,6H2,1-3H3,(H,31,32)(H,33,34)(H,35,36)(H2,21,22,23)/t9?,14-,16-,17-,20-/m1/s1
InChI key： AFRDVQAFRHUTTF-MXOUNDOTSA-N
SMILES： COc1cc(C(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c(cc1OC)[N+](=O)[O-]
Systematic name  (3)：
  • 5′-アデニル酸[[[1-(4,5-ジメトキシ-2-ニトロフェニル)エトキシ]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
  • [({[(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)オキシ]({[1-(4,5-ジメトキシ-2-ニトロフェニル)エトキシ](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}(hydroxy)phosphoryl)oxy]({[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (3)：
  • 5′-Adenylic acid [[[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl ester
  • P3-[1-(4,5-Dimethoxy-2-nitrophenyl)ethyl]ATP
  • P3-[1-(4,5-ジメトキシ-2-ニトロフェニル)エチル]ATP
Thsaurus map：
Thesaurus Map

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