beta-D-Glucopyranuronic Acid, 1-(4-(2-(1H-Imidazol-1-Yl)Ethoxy)Benzoate)
[CAS# 82345-75-3]

Identification

• Name: beta-D-Glucopyranuronic Acid, 1-(4-(2-(1H-Imidazol-1-Yl)Ethoxy)Benzoate)
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[4-(2-Imidazol-1-Ylethoxy)Benzoyl]Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[4-[2-(1-Imidazolyl)Ethoxy]Phenyl]-Oxomethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[4-(2-Imidazol-1-Ylethoxy)Phenyl]Carbonyloxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₀N₂O₉
• Molecular Weight: 408.36
• CAS Registry Number: 82345-75-3
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC=C(C=C2)OCC[N]3C=NC=C3)=O
• InChI: 1S/C18H20N2O9/c21-12-13(22)15(16(24)25)28-18(14(12)23)29-17(26)10-1-3-11(4-2-10)27-8-7-20-6-5-19-9-20/h1-6,9,12-15,18,21-23H,7-8H2,(H,24,25)/t12-,13-,14+,15-,18-/m0/s1
• InChIKey: MHHJOLPETUEANO-GLRLOKQVSA-N

Properties

• Density: 1.599g/cm³ (Cal.)
• Boiling point: 760.026°C at 760 mmHg (Cal.)
• Flash point: 413.449°C (Cal.)