3-Fluoro-N-acetylneuraminic acid
[CAS# 921-40-4]

Identification

• Name: 3-Fluoro-N-acetylneuraminic acid
• Synonyms: (2R,4R,5R,6R)-5-Acetamido-3-Fluoro-2,4-Dihydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2R,4R,5R,6R)-5-Acetamido-3-Fluoro-2,4-Dihydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; 3-Fluoro-Neuac
• Molecular Formula: C₁₁H₁₈FNO₉
• Molecular Weight: 327.26
• CAS Registry Number: 921-40-4
• SMILES: [C@]1(C(=O)O)(O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C1F
• InChI: 1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9?,11+/m1/s1
• InChIKey: ALJLGESFXXDPKH-GPBUIYQJSA-N

Properties

• Density: 1.69g/cm³ (Cal.)
• Boiling point: 813.852°C at 760 mmHg (Cal.)
• Flash point: 446.002°C (Cal.)