5-(4-(2-Acetamido-2-deoxy-beta-D-glucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate ammonium salt
[CAS# 125261-87-2]

Identification

• Name: 5-(4-(2-Acetamido-2-deoxy-beta-D-glucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate ammonium salt
• Synonyms: Ammonium 2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-Methoxy-Phenyl]Methylene]-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Acetate; Ammonium 2-[(5E)-5-[[4-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Methoxyphenyl]Methylene]-4-Oxo-2-Thioxo-3-Thiazolidinyl]Acetate; Ammonium 2-[(5E)-5-[4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-Methoxy-Benzylidene]-4-Keto-2-Thioxo-Thiazolidin-3-Yl]Acetate
• Molecular Formula: C₂₁H₂₇N₃O₁₀S₂
• Molecular Weight: 545.58
• CAS Registry Number: 125261-87-2
• SMILES: [C@@H]1(NC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC)C=C(C=C2)\C=C/3SC(=S)N(C3=O)CC([O-])=O)CO.[NH4+]
• InChI: 1S/C21H24N2O10S2.H3N/c1-9(25)22-16-18(29)17(28)13(8-24)33-20(16)32-11-4-3-10(5-12(11)31-2)6-14-19(30)23(7-15(26)27)21(34)35-14;/h3-6,13,16-18,20,24,28-29H,7-8H2,1-2H3,(H,22,25)(H,26,27);1H3/b14-6+;/t13-,16-,17-,18-,20-;/m1./s1
• InChIKey: CEKMVWASOJLIAG-IYMWRXDZSA-N