2'-(4-Methylumbelliferyl)-alpha-D-N-Acetylneuraminic Acid
[CAS# 59322-44-0]

Identification

• Name: 2'-(4-Methylumbelliferyl)-alpha-D-N-Acetylneuraminic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(4-Methyl-2-Oxo-Chromen-7-Yl)Oxy-6-[(2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(4-Methyl-2-Oxo-7-Chromenyl)Oxy]-6-[(2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(2-Keto-4-Methyl-Chromen-7-Yl)Oxy-6-[(2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₂₅NO₁₁
• Molecular Weight: 467.43
• CAS Registry Number: 59322-44-0
• SMILES: [C@H]3(O[C@](OC1=CC=C2C(=C1)OC(=O)C=C2C)(C[C@H](O)[C@H]3NC(=O)C)C(=O)O)C(O)[C@H](O)CO
• InChI: 1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18?,19+,21+/m0/s1
• InChIKey: KKDWIUJBUSOPGC-KPPVFQKOSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Boiling point: 888.122°C at 760 mmHg (Cal.)
• Flash point: 490.919°C (Cal.)