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

More details:

• Systematic name

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

• SMILES

  CC1C=CC(=CC=1)S(O)(=O)=O.C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H](C(O)[C@@H]1O)N1C=NC2C1=NC=NC=2N.OS(O)(=O)=O.OS(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)/t7-,8+,10+,11?,14+,27?;;;/m0.../s1

• Std. InChIKey

  XDCFCHNAIMYBAZ-STWYRCJQSA-N

• Cite this record

  CSID:115041642, http://www.chemspider.com/Chemical-Structure.115041642.html (accessed 00:37, Jun 1, 2024)