N-Acetyl-2-O-(3-Methoxyphenyl)-alpha-Neuraminic Acid
[CAS# 24751-40-4]

Identification

• Name: N-Acetyl-2-O-(3-Methoxyphenyl)-alpha-Neuraminic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(3-Methoxyphenoxy)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(3-Methoxyphenoxy)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; 2(3'-Methoxyphenyl)-N-Acetylneuraminic Acid
• Molecular Formula: C₁₈H₂₅NO₁₀
• Molecular Weight: 415.40
• CAS Registry Number: 24751-40-4
• SMILES: [C@@]2(OC1=CC(=CC=C1)OC)(O[C@H]([C@@H]([C@H](C2)O)NC(C)=O)[C@@H]([C@@H](CO)O)O)C(O)=O
• InChI: 1S/C18H25NO10/c1-9(21)19-14-12(22)7-18(17(25)26,29-16(14)15(24)13(23)8-20)28-11-5-3-4-10(6-11)27-2/h3-6,12-16,20,22-24H,7-8H2,1-2H3,(H,19,21)(H,25,26)/t12-,13+,14+,15+,16+,18+/m0/s1
• InChIKey: FFQZDUPSNPAFTE-DGYIVEFISA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 803.27°C at 760 mmHg (Cal.)
• Flash point: 439.602°C (Cal.)