Chem
J-GLOBAL ID：201307017394988009   Nikkaji number：J3.140.470C

Adenosine 5′-triphosphoric acid γ-(6-azidohexyl) ester

アデノシン5′-三りん酸γ-(6-アジドヘキシル)
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： C16H27N6[N-][N+]O13P3
Molecular formula furigana： C16-H27-N8-O13-P3
Molecular weight： 632.356
InChI： InChI=1S/C16H27N8O13P3/c17-14-11-15(20-8-19-14)24(9-21-11)16-13(26)12(25)10(35-16)7-34-39(29,30)37-40(31,32)36-38(27,28)33-6-4-2-1-3-5-22-23-18/h8-10,12-13,16,25-26H,1-7H2,(H,27,28)(H,29,30)(H,31,32)(H2,17,19,20)/t10-,12-,13-,16-/m1/s1
InChI key： JQUCSDNHXSQXHA-XNIJJKJLSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCN=[N+]=[N-])[C@@H](O)[C@H]1O
Systematic name  (3)：
  • アデノシン5′-三りん酸γ-(6-アジドヘキシル)
  • [({[(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]({[(6-アジドヘキシル)オキシ](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]({[(6-azidohexyl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (1)：
  • Adenosine 5′-triphosphoric acid γ-(6-azidohexyl) ester
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