Chem
J-GLOBAL ID：201107099926964008   Nikkaji number：J2.967.570H

Adenosine 5′-phosphoric acid [[[(oxylato)[[10-[[(2,4-cyclopentadienyl)carbonyl]amino]decyl]amino]phosphinyl]oxy](oxylato)phosphinyl] ester

アデノシン5′-りん酸[[[(オキシラト)[[10-[[(2,4-シクロペンタジエニル)カルボニル]アミノ]デシル]アミノ]ホスフィニル]オキシ](オキシラト)ホスフィニル]
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： C26H40N7O11[O-]2P3
Molecular formula furigana： C26-H40-N7-O13-P3
Molecular weight： 751.564
InChI： InChI=1S/C26H42N7O13P3/c27-23-20-24(30-16-29-23)33(17-31-20)26-22(35)21(34)19(44-26)15-43-48(39,40)46-49(41,42)45-47(37,38)32-14-10-6-4-2-1-3-5-9-13-28-25(36)18-11-7-8-12-18/h7-8,11-12,16-19,21-22,26,34-35H,1-6,9-10,13-15H2,(H,28,36)(H,39,40)(H,41,42)(H2,27,29,30)(H2,32,37,38)/p-2/t19-,21-,22-,26-/m1/s1
InChI key： LXTJMUOIRNLIPW-RKCWLVDCSA-L
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])NCCCCCCCCCCNC(=O)C2C=CC=C2)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • アデノシン5′-りん酸[[[(オキシラト)[[10-[[(2,4-シクロペンタジエニル)カルボニル]アミノ]デシル]アミノ]ホスフィニル]オキシ](オキシラト)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 ホスホナト)オキシ]({10-[(シクロペンタ-2,4-ジエン-1-イル)ホルムアミド]デシル}アミノ)ホスフィナート
  • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]({10-[(cyclopenta-2,4-dien-1-yl)formamido]decyl}amino)phosphinate
Other name (1)：
  • Adenosine 5′-phosphoric acid [[[(oxylato)[[10-[[(2,4-cyclopentadienyl)carbonyl]amino]decyl]amino]phosphinyl]oxy](oxylato)phosphinyl] ester
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