[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4,4-dideuterio-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

More details:

• Systematic name

  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4,4-dideuterio-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

• SMILES

  O=P(OC[C@H]3O[C@@H](n1c2ncnc(N)c2nc1)[C@H](O)[C@@H]3O)(O)OP(=O)(O)OC[C@H]5O[C@@H](N\4/C=C(/C(=O)N)C([2H])([2H])/C=C/4)[C@H](O)[C@@H]5O

• Std. InChi

  InChI=1S/C21H29N7O14P2/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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i2D2

• Std. InChIKey

  BOPGDPNILDQYTO-UFTUVJRPSA-N

• Cite this record

  CSID:9977425, http://www.chemspider.com/Chemical-Structure.9977425.html (accessed 05:21, Apr 19, 2024)