[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; 4-methylbenzenesulfonic acid; sulfuric acid

More details:

• Systematic name

  [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; 4-methylbenzenesulfonic acid; sulfuric acid

• SMILES

  O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)c1ccc(cc1)C.O=C(O)[C@@H](N)CC[S+](C)C[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O

• Std. InChi

  InChI=1S/C15H22N6O5S.C7H8O3S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/p+1/t7-,8+,10+,11+,14+,27?;;;/m0.../s1

• Std. InChIKey

  XDCFCHNAIMYBAZ-XQVUROGGSA-O

• Cite this record

  CSID:8298763, http://www.chemspider.com/Chemical-Structure.8298763.html (accessed 01:13, Jun 1, 2024)