N-Acetylneuraminic acid methyl ester

• CAS: 22900-11-4
• Catalog Number: ACM22900114
• Category: Other Products
• Molecular Weight: 323.3
• Molecular Formula: C12H21NO9
• Synonyms: Methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• IUPAC Name: Methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
• Canonical SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O
• InChI: InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12-/m0/s1
• InChI Key: BKZQMWNJESHHSA-AGNBLMTLSA-N
• Boiling Point: 693.8±55.0 °C
• Melting Point: 193.5-194.5 °C
• Flash Point: 373.4ºC
• Density: 1.51±0.1 g/ml
• Appearance: Solid
• EC Number: 607-180-5
• Exact Mass: 323.12200
• H-Bond Acceptor: 9
• H-Bond Donor: 6
• pKa: 10.40±0.70
• Refractive Index: -27.5 ° (C=1, H₂O)