[(2S,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[3-(hydroxycarbonimidoyl)pyridin-1-ium-1-yl]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate

More details:

• Systematic name

  [(2S,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[3-(hydroxycarbonimidoyl)pyridin-1-ium-1-yl]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate

• SMILES

  c1cc(c[n+](c1)[C@@H]2[C@@H]([C@H]([C@@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@H]3[C@@H]([C@@H]([C@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)[O-])O)O)O)C(=N)O

• Std. InChi

  InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p-2

• Std. InChIKey

  XJLXINKUBYWONI-UHFFFAOYSA-L

• Cite this record

  CSID:21238989, http://www.chemspider.com/Chemical-Structure.21238989.html (accessed 04:23, Apr 20, 2024)