9-Acetate N-Acetyl-Neuraminic Acid
[CAS# 55717-54-9]

Identification

• Name: 9-Acetate N-Acetyl-Neuraminic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetoxy-1,2-Dihydroxy-Propyl]-2,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetoxy-1,2-Dihydroxypropyl]-2,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-Acetyloxy-1,2-Dihydroxy-Propyl]-2,4-Dihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₂₁NO₁₀
• Molecular Weight: 351.31
• CAS Registry Number: 55717-54-9
• SMILES: [C@H]1(O[C@@](O)(C[C@H](O)[C@H]1NC(=O)C)C(=O)O)[C@H](O)[C@H](O)COC(=O)C
• InChI: 1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
• InChIKey: NYWZBRWKDRMPAS-GRRZBWEESA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 757.847°C at 760 mmHg (Cal.)
• Flash point: 412.131°C (Cal.)