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

More details:

• Systematic name

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

• 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)O)O)O)O)C(=O)[O-]

• Std. InChi

  InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p-2

• Std. InChIKey

  SENPVEZBRZQVST-UHFFFAOYSA-L

• Cite this record

  CSID:21234868, http://www.chemspider.com/Chemical-Structure.21234868.html (accessed 16:02, Apr 23, 2024)