2,2'-[(1S,2R,3R,4R,5S,6R)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-D-allopyranosyl]-3-C-(hydroxymethyl)-α-D-arabinofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine sulfate (2: 3)

More details:

• Systematic name

  2,2'-[(1S,2R,3R,4R,5S,6R)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-D-allopyranosyl]-3-C-(hydroxymethyl)-alpha-D-arabinofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine sulfate (2: 3)

• SMILES

  C[C@H]1O[C@H](O[C@@H]2[C@H](N=C(N)N)[C@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC)[C@@]1(O)CO.C[C@H]1O[C@H](O[C@@H]2[C@H](N=C(N)N)[C@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC)[C@@]1(O)CO.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O

• Std. InChi

  InChI=1S/2C21H41N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,21-;;;/m11.../s1

• Std. InChIKey

  CZWJCQXZZJHHRH-AUVLSRCASA-N

• Cite this record

  CSID:78431964, http://www.chemspider.com/Chemical-Structure.78431964.html (accessed 18:56, Jun 15, 2024)