tetrasodium;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate

More details:

• Systematic name

  tetrasodium;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate

• SMILES

  c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@H]4[C@@H]([C@@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+]

• Std. InChi

  InChI=1S/C21H30N7O17P3.4Na/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;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4/t10-,11+,13-,14+,15-,16+,20-,21+;;;;/m0..../s1

• Std. InChIKey

  WYWWVJHQDVCHKF-MPUNMZHWSA-J

• Cite this record

  CSID:17346143, http://www.chemspider.com/Chemical-Structure.17346143.html (accessed 07:37, Apr 19, 2024)