[(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; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate

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; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate

• SMILES

  Cc1ccc(cc1)S(=O)(=O)[O-].C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O.OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

• 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-3/t7-,8+,10+,11+,14+,27?;;;/m0.../s1

• Std. InChIKey

  XDCFCHNAIMYBAZ-XQVUROGGSA-K

• Cite this record

  CSID:143543, http://www.chemspider.com/Chemical-Structure.143543.html (accessed 00:55, Jun 12, 2024)