sodium;[[(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

More details:

• Systematic name

  sodium;[[(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

• SMILES

  [Na+].NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2CNC3=C2N=CN=C3N)[C@@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C21H30N7O17P3.Na/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;/h1-4,7,10-11,13-16,20-21,26,29-31H,5-6,8H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1

• Std. InChIKey

  SLRJFMDHEFITJQ-QYZPTAICSA-M

• Cite this record

  CSID:110091128, http://www.chemspider.com/Chemical-Structure.110091128.html (accessed 21:27, Apr 26, 2024)