Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranosonate
[CAS# 22900-11-4]

Identification

• Classification: Biochemical >> Carbohydrate >> Monosaccharide
• Name: Methyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranosonate
• Synonyms: N-Acetylneuraminic Acid Methyl Ester; N-ACETYL-NEURAMINIC ACID METHYL ESTER; n-acetylneuraminicacidmethylester
• Molecular Formula: C₁₂H₂₁NO₉
• Molecular Weight: 323.30
• CAS Registry Number: 22900-11-4
• 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: 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
• InChIKey: BKZQMWNJESHHSA-AGNBLMTLSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 693.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 373.4±31.5°C (Cal.)
• Refractive index: 1.576 (Cal.)