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

More details:

• Systematic name

  disodium;[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 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)O)N.[Na+].[Na+]

• Std. InChi

  InChI=1S/C21H29N7O14P2.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);;/q;2*+1/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;/m0../s1

• Std. InChIKey

  QRGNQKGQENGQSE-LDIFEYSGSA-L

• Cite this record

  CSID:68896022, http://www.chemspider.com/Chemical-Structure.68896022.html (accessed 13:40, May 18, 2024)