Mannosyl(2)-N-acetyl(2)-glucose

Base Information

• Chemical Name: Mannosyl(2)-N-acetyl(2)-glucose
• CAS No.: 81034-76-6
• Molecular Formula: C28H48N2O21
• Molecular Weight: 748.6815
• DSSTox Substance ID: DTXSID60230866
• Wikidata: Q83111607
• Mol file: 81034-76-6.mol

Synonyms:Man2GlcNAc2;mannosyl(2)-N-acetyl(2)-glucose

Chemical Property of Mannosyl(2)-N-acetyl(2)-glucose

Chemical Property:

• Boiling Point: 1236.9°Cat760mmHg
• Flash Point: 701.9°C
• PSA: 380.39000
• Density: 1.66g/cm³
• LogP: -7.93800
• XLogP3: -8.2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 16
• Exact Mass: 748.27495654
• Heavy Atom Count: 51
• Complexity: 1120

Purity/Quality:

Man-2bN-Glycan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC(C(C=O)NC(=O)C)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O