2-O-(4-Nitrophenyl)-alpha-D-N-Acetylneuraminic Acid
[CAS# 26112-88-9]

Identification

• Name: 2-O-(4-Nitrophenyl)-alpha-D-N-Acetylneuraminic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(4-Nitrophenoxy)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylate; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(4-Nitrophenoxy)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylate; 1-Npana
• Molecular Formula: C₁₇H₂₁N₂O₁₁
• Molecular Weight: 429.36
• CAS Registry Number: 26112-88-9
• SMILES: [C@H]2(NC(=O)C)[C@@H](O[C@](OC1=CC=C([N+]([O-])=O)C=C1)(C[C@@H]2O)C([O-])=O)[C@H](O)[C@H](O)CO
• InChI: 1S/C17H22N2O11/c1-8(21)18-13-11(22)6-17(16(25)26,30-15(13)14(24)12(23)7-20)29-10-4-2-9(3-5-10)19(27)28/h2-5,11-15,20,22-24H,6-7H2,1H3,(H,18,21)(H,25,26)/p-1/t11-,12+,13+,14+,15+,17+/m0/s1
• InChIKey: OICUZSPXIJAAEA-WTUOYXTGSA-M

Properties

• Boiling point: 853.315°C at 760 mmHg (Cal.)
• Flash point: 469.868°C (Cal.)