Mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose

Base Information

• Chemical Name: Mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose
• CAS No.: 61652-90-2
• Molecular Formula: C22H38N2O16
• Molecular Weight: 586.5409
• DSSTox Substance ID: DTXSID00210667
• Wikidata: Q83085432
• Mol file: 61652-90-2.mol

Synonyms:Man-1-4-GlcNAc-1-4-GlcNAc;Man1GlcNAc2;Manbeta1-4GlcNAcbeta1-4GlcNAc;mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose

Chemical Property of Mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose

Chemical Property:

• Boiling Point: 1091.6°Cat760mmHg
• PKA: 12.72±0.70(Predicted)
• Flash Point: 614°C
• PSA: 301.24000
• Density: 1.6g/cm³
• LogP: -5.76220
• XLogP3: -6.6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 13
• Exact Mass: 586.22213313
• Heavy Atom Count: 40
• Complexity: 837

Purity/Quality:

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)O)OC2C(C(C(C(O2)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)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O)O

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