(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-1-Methyl-5-Oxopyrrolidin-2-Yl]Pyridin-1-Ium-1-Yl]Oxane-2-Carboxylate
[CAS# 139427-57-9]

Identification

• Classification: Chemical reagent >> Deuterated reagent
• Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-1-Methyl-5-Oxopyrrolidin-2-Yl]Pyridin-1-Ium-1-Yl]Oxane-2-Carboxylate
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-1-Methyl-5-Oxo-Pyrrolidin-2-Yl]Pyridin-1-Ium-1-Yl]Tetrahydropyran-2-Carboxylate; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-1-Methyl-5-Oxo-2-Pyrrolidinyl]-1-Pyridin-1-Iumyl]-2-Tetrahydropyrancarboxylate; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[3-[(2S)-5-Keto-1-Methyl-Pyrrolidin-2-Yl]Pyridin-1-Ium-1-Yl]Tetrahydropyran-2-Carboxylate
• Molecular Formula: C₁₆H₂₀N₂O₇
• Molecular Weight: 352.34
• CAS Registry Number: 139427-57-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[N+]2=CC(=CC=C2)[C@H]3N(C(=O)CC3)C
• InChI: 1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15+/m0/s1
• InChIKey: XWZCZWKUGIQPJD-LKUTUIMVSA-N