Chem
J-GLOBAL ID:200907011354245711   Nikkaji number:J2.440.553B

4-Nitrophenyl 5-O-(5′-adenylyloxyphosphonyl)-β-D-ribofuranoside

4-ニトロフェニル5-O-(5′-アデニリルオキシホスホニル)-β-D-リボフラノシド
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: C21H26N5[N+]O15[O-]P2
Molecular formula furigana: C21-H26-N6-O16-P2
Molecular weight: 680.413
InChI: InChI=1S/C21H26N6O16P2/c22-18-13-19(24-7-23-18)26(8-25-13)20-16(30)14(28)11(41-20)5-38-44(34,35)43-45(36,37)39-6-12-15(29)17(31)21(42-12)40-10-3-1-9(2-4-10)27(32)33/h1-4,7-8,11-12,14-17,20-21,28-31H,5-6H2,(H,34,35)(H,36,37)(H2,22,23,24)/t11-,12-,14-,15-,16-,17-,20-,21-/m1/s1
InChI key: POSLVNCHSVAAOL-PLEFRAQWSA-N
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](Oc3ccc(cc3)[N+](=O)[O-])[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 4-ニトロフェニル5-O-(5′-アデニリルオキシホスホニル)-β-D-リボフラノシド
  • [({[(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]({[(2R,3S,4R,5S)-3,4-ジヒドロキシ-5-(4-ニトロフェノキシ)オキソラン-2-イル]メトキシ})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]({[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-nitrophenoxy)oxolan-2-yl]methoxy})phosphinic acid
Other name (1):
  • 4-Nitrophenyl 5-O-(5′-adenylyloxyphosphonyl)-β-D-ribofuranoside
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