[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide; dihydrate

More details:

• Systematic name

  [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide; dihydrate

• SMILES

  c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N.O.O

• Std. InChi

  InChI=1S/C11H14N2O5.C10H15N5O10P2.2H2O/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19;;/h1-4,7-9,11,14-16H,5H2,(H-,12,17);2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22);2*1H2/p+1/t7-,8-,9-,11-;4-,6-,7-,10-;;/m11../s1

• Std. InChIKey

  XRJXYKOAJAFMQK-HICDBZMQSA-O

• Cite this record

  CSID:393407, http://www.chemspider.com/Chemical-Structure.393407.html (accessed 19:56, Apr 25, 2024)