N-Acetyl-9-Deoxyneuraminic Acid
[CAS# 117193-36-9]

Identification

• Name: N-Acetyl-9-Deoxyneuraminic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-1,2-Dihydroxypropyl]-2,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-1,2-Dihydroxypropyl]-2,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-1,2-Dihydroxypropyl]-2,4-Dihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₁H₁₉NO₈
• Molecular Weight: 293.27
• CAS Registry Number: 117193-36-9
• SMILES: [C@@H]1(C[C@](O[C@H]([C@@H]1NC(C)=O)[C@@H]([C@@H](C)O)O)(C(O)=O)O)O
• InChI: 1S/C11H19NO8/c1-4(13)8(16)9-7(12-5(2)14)6(15)3-11(19,20-9)10(17)18/h4,6-9,13,15-16,19H,3H2,1-2H3,(H,12,14)(H,17,18)/t4-,6+,7-,8-,9-,11+/m1/s1
• InChIKey: HTPINWISPUXEEO-RXPPVQSPSA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 726.517°C at 760 mmHg (Cal.)
• Flash point: 393.183°C (Cal.)