N-Acetyl-9-O-acetylneuraminic acid

Base Information

• Chemical Name: N-Acetyl-9-O-acetylneuraminic acid
• CAS No.: 55717-54-9
• Molecular Formula: C13H21NO10
• Molecular Weight: 298.5038
• DSSTox Substance ID: DTXSID40971088
• Nikkaji Number: J796.439K
• Wikidata: Q27109402
• Metabolomics Workbench ID: 37430
• Mol file: 55717-54-9.mol

Synonyms:9-ANANA;9-O-acetyl-N-acetylneuraminic acid;9-O-acetylsialic acid;N-acetyl-9-O-acetylneuraminic acid

Chemical Property of N-Acetyl-9-O-acetylneuraminic acid

Chemical Property:

• Vapor Pressure: 1.64E-26mmHg at 25°C
• Boiling Point: 408°Cat760mmHg
• Flash Point: 175.4°C
• PSA: 186.34000
• Density: 0.882g/cm³
• LogP: -2.46070
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 351.11654587
• Heavy Atom Count: 24
• Complexity: 497

Purity/Quality:

97% ^*data from raw suppliers

5-N-Acetyl-9-O-acetyl neuraminic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)O)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O
• Uses: N,9-O-Diacetylneuraminic Acid is a primary receptor determinant of influenza C virus.