(4S,5R,6R,7S,8S)-5-Acetamido-9-fluoro-4,6,7,8-tetrahydroxy-2-oxononanoic acid
[CAS# 85819-28-9]

Identification

• Name: (4S,5R,6R,7S,8S)-5-Acetamido-9-fluoro-4,6,7,8-tetrahydroxy-2-oxononanoic acid
• Synonyms: N-Acetyl-9-deoxy-9-fluoroneuraminic acid; Nadfna
• Molecular Formula: C₁₁H₁₈FNO₈
• Molecular Weight: 311.26
• CAS Registry Number: 85819-28-9
• SMILES: O=C(C(=O)O)C[C@H](O)[C@@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H](O)CF
• InChI: 1S/C11H18FNO8/c1-4(14)13-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-12/h5,7-10,15,17-19H,2-3H2,1H3,(H,13,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
• InChIKey: CAYNAADKIUGQOQ-BOHATCBPSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 716.006°C at 760 mmHg (Cal.)
• Flash point: 386.827°C (Cal.)