Chem
J-GLOBAL ID:200907037535689076   Nikkaji number:J2.750.452C

XppppX

四りん酸Oα,Oδ-ビス(5′-キサントシル)
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: C20H26N8O23P4
Molecular formula furigana: C20-H26-N8-O23-P4
Molecular weight: 870.356
InChI: InChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChI key: PNTZPNDMKHCLNV-MHARETSRSA-N
SMILES: O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2[nH]c(=O)[nH]c3=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Systematic name  (3):
  • 四りん酸Oα,Oδ-ビス(5′-キサントシル)
  • [({[(2R,3S,4R,5R)-5-(2,6-ジオキソ-2,3,6,9-テトラヒドロ-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]({[({[(2R,3S,4R,5R)-5-(2,6-ジオキソ-2,3,6,9-テトラヒドロ-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)ホスフィン酸
  • [({[(2R,3S,4R,5R)-5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(2R,3S,4R,5R)-5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
Other name (3):
  • Tetraphosphoric acid Oα,Oδ-bis(5′-xanthosyl) ester
  • P1,P4-Bis(5′-xanthosyl) tetraphosphate
  • XppppX
KEGG COMPOUND: C04392
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