4-O-Methyl-N-Acetylneuraminic Acid
[CAS# 67974-39-4]

Identification

• Name: 4-O-Methyl-N-Acetylneuraminic Acid
• Synonyms: (4S,5S,6R,7S,8R)-5-Acetamido-6,7,8,9-Tetrahydroxy-4-Methoxy-2-Oxo-Nonanoic Acid; (4S,5S,6R,7S,8R)-5-Acetamido-6,7,8,9-Tetrahydroxy-2-Keto-4-Methoxy-Pelargonic Acid; 4-O-Methyl-N-Acetylneuraminic Acid
• Molecular Formula: C₁₂H₂₁NO₉
• Molecular Weight: 323.30
• CAS Registry Number: 67974-39-4
• SMILES: [C@@H](CO)([C@H]([C@@H]([C@@H]([C@H](CC(C(O)=O)=O)OC)NC(C)=O)O)O)O
• InChI: 1S/C12H21NO9/c1-5(15)13-9(11(19)10(18)7(17)4-14)8(22-2)3-6(16)12(20)21/h7-11,14,17-19H,3-4H2,1-2H3,(H,13,15)(H,20,21)/t7-,8+,9-,10-,11-/m1/s1
• InChIKey: UWTCTIMOBMXPCE-RCZSTQMZSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 688.04°C at 760 mmHg (Cal.)
• Flash point: 369.913°C (Cal.)