2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREAHYDROBROMIDE

2-(2,3,4,6-Tetra-O-acetyl-bD-glucopyranosyl)thiopseudourea hydrobromide 2-(2,3,4,6-O-tetraacetyl-beta-D-glucose)isothiourea hydrobromide, CAS Number 40591-65-9 Product Name 2-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-2-thiopseudourea hydrobromide IUPAC Name [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-carbamimidoylsulfanyloxan-2-yl]methyl acetate;hydrobromide Molecular Formula C15H23BrN2O9S Molecular Weight 487.32 g/mol ikB InChI=1S/C15H22N2O9S.BrH/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21) 14(26-10)27-15(16)17;/h10-14H,5H2,1-4H3,(H3,16,17);1H/t10-,11-,12+,13-,14+; /m1./s1 InChI Key QNVDHERXTIAGPT-SXQUUHMTSA-N SMILES CC(=O)OCC1C(C(C(C(O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br Synonyms 2,3,4,6-Tetraacetate-1-thio-1-carbamimidate-?-D-glucopyranose Hydrobromide;S-(2,3,4,6-Tetra-O-acetyl-?-D-glucopyranosyl)isothiourea Hydrobromide ; NSC 409734; Canonical SMILES CC(=O)OCC1C(C(C(C(O1)SC(=[NH2+])N)OC(=O)C)OC(=O)C)OC(=O)C.[Br-] Isometric SMILES CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC(=[NH2+])N) OC(=O)C)OC(=O)C)OC(=O)C.[Br-]