4-Amino-2,6-anhydro-3,4,5-trideoxy-5-[(1-hydroxyethylidene)amino]non-2-enonic acid

Base Information

• Chemical Name: 4-Amino-2,6-anhydro-3,4,5-trideoxy-5-[(1-hydroxyethylidene)amino]non-2-enonic acid
• CAS No.: 130525-62-1
• Molecular Formula: C11H18N2O7
• Molecular Weight: 290.273
• DSSTox Substance ID: DTXSID90926785
• Mol file: 130525-62-1.mol

Synonyms:Zanamivir Amine;DTXSID90926785;J-005823;4-Amino-2,6-anhydro-3,4,5-trideoxy-5-[(1-hydroxyethylidene)amino]non-2-enonic acid

Chemical Property of 4-Amino-2,6-anhydro-3,4,5-trideoxy-5-[(1-hydroxyethylidene)amino]non-2-enonic acid

Chemical Property:

• Vapor Pressure: 6.64E-25mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 734.5 °C at 760 mmHg
• Flash Point: 398 °C
• PSA: 162.34000
• Density: 1.53 g/cm³
• LogP: -2.00900
• Storage Temp.: Refrigerator
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 290.11140092
• Heavy Atom Count: 20
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

Zanamivir Amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N
• Isomeric SMILES: CC(=O)NC1[C@H](C=C(O[C@H]1[C@H]([C@H](CO)O)O)C(=O)O)N
• Uses: A synthetic precursor of Zanamivir.