Chem
J-GLOBAL ID：200907052806332801   Nikkaji number：J765.328J

Adenosine 5′-[triphosphoric acid Oγ-(4-hydroxyphenacyl)] ester

アデノシン5′-[三りん酸Oγ-(4-ヒドロキシフェナシル)]
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： C18H22N5O15P3
Molecular formula furigana： C18-H22-N5-O15-P3
Molecular weight： 641.315
InChI： InChI=1S/C18H22N5O15P3/c19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(36-18)6-35-40(30,31)38-41(32,33)37-39(28,29)34-5-11(25)9-1-3-10(24)4-2-9/h1-4,7-8,12,14-15,18,24,26-27H,5-6H2,(H,28,29)(H,30,31)(H,32,33)(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
InChI key： VXIGWDQJIRQEEE-SCFUHWHPSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • アデノシン5′-[三りん酸Oγ-(4-ヒドロキシフェナシル)]
  • アデノシン5′-三りん酸γ-[2-(4-ヒドロキシフェニル)-2-オキソエチル]
  • [({[(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]({ヒドロキシ[2-(4-ヒドロキシフェニル)-2-オキソエトキシ]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]({hydroxy[2-(4-hydroxyphenyl)-2-oxoethoxy]phosphoryl}oxy)phosphinic acid
Other name (2)：
  • Adenosine 5′-[triphosphoric acid Oγ-(4-hydroxyphenacyl)] ester
  • Adenosine 5′-triphosphoric acid γ-[2-(4-hydroxyphenyl)-2-oxoethyl] ester
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