N-Acetyl-9-O-Lactylneuraminic Acid
[CAS# 58718-38-0]

Identification

• Name: N-Acetyl-9-O-Lactylneuraminic Acid
• Synonyms: (2R,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-1,2-Dihydroxy-3-[(2S)-2-Hydroxypropanoyl]Oxy-Propyl]-2,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-1,2-Dihydroxy-3-[(2S)-2-Hydroxy-1-Oxopropoxy]Propyl]-2,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-1,2-Dihydroxy-3-Lactoyloxy-Propyl]-2,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₃NO₁₁
• Molecular Weight: 381.34
• CAS Registry Number: 58718-38-0
• SMILES: [C@@H]1(C[C@](O[C@H]([C@@H]1NC(C)=O)[C@@H]([C@@H](COC([C@H](C)O)=O)O)O)(O)C(O)=O)O
• InChI: 1S/C14H23NO11/c1-5(16)12(21)25-4-8(19)10(20)11-9(15-6(2)17)7(18)3-14(24,26-11)13(22)23/h5,7-11,16,18-20,24H,3-4H2,1-2H3,(H,15,17)(H,22,23)/t5-,7-,8+,9+,10+,11+,14+/m0/s1
• InChIKey: XXNWSGSWDRDYLR-ITLAUYTFSA-N

Properties

• Density: 1.587g/cm³ (Cal.)
• Boiling point: 807.613°C at 760 mmHg (Cal.)
• Flash point: 442.229°C (Cal.)