N-Acetyl-2'-O-methyllactosamine

Base Information

• Chemical Name: N-Acetyl-2'-O-methyllactosamine
• CAS No.: 99933-16-1
• Molecular Formula: C15H27 N O11
• Molecular Weight: 397.38
• DSSTox Substance ID: DTXSID70912383
• Mol file: 99933-16-1.mol

Synonyms:Ac-2-MeLac;N-acetyl-2'-O-methyllactosamine

Chemical Property of N-Acetyl-2'-O-methyllactosamine

Chemical Property:

• Vapor Pressure: 1.16E-29mmHg at 25°C
• Boiling Point: 800.8°C at 760 mmHg
• Flash Point: 438.1°C
• Density: 1.48g/cm³
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 397.15841068
• Heavy Atom Count: 27
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(C=O)C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)OC)O
• Isomeric SMILES: CC(=O)NC(C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC)O

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