8-O-Acetyl-N-Acetylneuraminic Acid
[CAS# 18529-64-1]

Identification

• Name: 8-O-Acetyl-N-Acetylneuraminic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-Acetoxy-1,3-Dihydroxy-Propyl]-2,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-Acetoxy-1,3-Dihydroxypropyl]-2,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-Acetyloxy-1,3-Dihydroxy-Propyl]-2,4-Dihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₂₁NO₁₀
• Molecular Weight: 351.31
• CAS Registry Number: 18529-64-1
• SMILES: [C@]1(C(=O)O)(O)O[C@@H]([C@H](O)[C@@H](CO)OC(C)=O)[C@H](NC(=O)C)[C@@H](O)C1
• InChI: 1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(19)8(4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
• InChIKey: PPOPOQUIFLBQOB-GRRZBWEESA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 758.185°C at 760 mmHg (Cal.)
• Flash point: 412.336°C (Cal.)