(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(3R,5S)-1-Methyl-2-Oxo-5-Pyridin-3-Ylpyrrolidin-3-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 132929-88-5]

Identification

• Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(3R,5S)-1-Methyl-2-Oxo-5-Pyridin-3-Ylpyrrolidin-3-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(3R,5S)-1-Methyl-2-Oxo-5-(3-Pyridyl)Pyrrolidin-3-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5S)-1-Methyl-2-Oxo-5-(3-Pyridyl)-3-Pyrrolidinyl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(3R,5S)-2-Keto-1-Methyl-5-(3-Pyridyl)Pyrrolidin-3-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₀N₂O₈
• Molecular Weight: 368.34
• CAS Registry Number: 132929-88-5
• SMILES: [C@@H]2(C1=CC=CN=C1)C[C@H](C(N2C)=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(O)=O
• InChI: 1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,16+/m0/s1
• InChIKey: WALNNKZUGHYSCT-MGKNELHOSA-N

Properties

• Density: 1.587g/cm³ (Cal.)
• Boiling point: 699.245°C at 760 mmHg (Cal.)
• Flash point: 376.69°C (Cal.)