Chem
J-GLOBAL ID：200907046532622670   Nikkaji number：J1.252.853A

Ap5G

Ap5G
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： C20H29N10O23P5
Molecular formula furigana： C20-H29-N10-O23-P5
Molecular weight： 932.368
InChI： InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChI key： CNMILLPGDWDFCZ-INFSMZHSSA-N
SMILES： Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)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@@H](O)[C@H]1O
Systematic name  (5)：
  • 三りん酸Oα-(5′-グアニリル),Oγ-(5′-アデニリル)
  • 三りん酸Oα-(5′-アデニリル),Oγ-(5′-グアニリル)
  • ホスフィニコビスオキシビスホスフィニコビスオキシビスホスホン酸O-(5′-アデノシル)O′-(5′-グアノシル)
  • ({[({[(2R,3S,4R,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-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)({[({[(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)ホスフィン酸
  • ({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (4)：
  • Triphosphoric acid Oα-(5′-guanylyl),Oγ-(5′-adenylyl) ester
  • Triphosphoric acid Oα-(5′-adenylyl),Oγ-(5′-guanylyl) ester
  • Ap5G
  • Phosphinicobisoxybisphosphinicobisoxybisphosphonic acid O-(5′-adenosyl)O′-(5′-guanosyl) ester
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