(2S,4S,5R,6R)-4,5-Diacetamido-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 127099-59-6]

Identification

• Name: (2S,4S,5R,6R)-4,5-Diacetamido-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-4,5-Diacetamido-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-4,5-Diacetamido-2-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; 4-Acetamido-4-Deoxy-N-Acetylneuraminic Acid
• Molecular Formula: C₁₃H₂₂N₂O₉
• Molecular Weight: 350.32
• CAS Registry Number: 127099-59-6
• SMILES: [C@@H]1(C[C@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(O)=O)O)NC(=O)C
• InChI: 1S/C13H22N2O9/c1-5(17)14-7-3-13(23,12(21)22)24-11(9(7)15-6(2)18)10(20)8(19)4-16/h7-11,16,19-20,23H,3-4H2,1-2H3,(H,14,17)(H,15,18)(H,21,22)/t7-,8+,9+,10+,11+,13-/m0/s1
• InChIKey: JXZIXEZQGBPRDS-GRRZBWEESA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 877.706°C at 760 mmHg (Cal.)
• Flash point: 484.619°C (Cal.)