2-Nitrophenyl 5-acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranosidonic acid
[CAS# 157707-92-1]

Identification

• Name: 2-Nitrophenyl 5-acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranosidonic acid
• Synonyms: 2-O-(o-Nitrophenyl)-α-D-N-acetylneuraminic acid; N1266_SIGMA
• Molecular Formula: C₁₇H₂₂N₂O₁₁
• Molecular Weight: 430.36
• CAS Registry Number: 157707-92-1
• SMILES: [O-][N+](=O)c2ccccc2OC1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C(=O)O
• InChI: 1S/C17H22N2O11/c1-8(21)18-13-10(22)6-17(16(25)26,30-15(13)14(24)11(23)7-20)29-12-5-3-2-4-9(12)19(27)28/h2-5,10-11,13-15,20,22-24H,6-7H2,1H3,(H,18,21)(H,25,26)
• InChIKey: HWBGFIGDTJBVQD-UHFFFAOYSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 853.315°C at 760 mmHg (Cal.)
• Flash point: 469.868°C (Cal.)
• Refractive index: 1.644 (Cal.)