Chem
J-GLOBAL ID：200907079901026322   Nikkaji number：J2.686.411I

1-[5-O-[(5′-Adenylyloxy)phosphonyl]-β-D-ribofuranosyl]-3-carboxypyridinium

1-[5-O-[(5′-アデニリルオキシ)ホスホニル]-β-D-リボフラノシル]-3-カルボキシピリジニウム
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： C21H27N5[N+]O15P2
Molecular formula furigana： C21-H27-N6-O15-P2
Molecular weight： 665.421
InChI： InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI key： SENPVEZBRZQVST-HISDBWNOSA-O
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(=O)O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 1-[5-O-[(5′-アデニリルオキシ)ホスホニル]-β-D-リボフラノシル]-3-カルボキシピリジニウム
  • 1-[(2R,3R,4S,5R)-5-[({[({[(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)ホスホリル}オキシ)メチル]-3,4-ジヒドロキシオキソラン-2-イル]-3-カルボキシ-1λ5-ピリジン-1-イリウム
  • 1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1λ5-pyridin-1-ylium
Other name (1)：
  • 1-[5-O-[(5′-Adenylyloxy)phosphonyl]-β-D-ribofuranosyl]-3-carboxypyridinium
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM