Galactopyranosyl(1-4)acetylglucosaminyl(1-3)acetylgalactosamine

Base Information

• Chemical Name: Galactopyranosyl(1-4)acetylglucosaminyl(1-3)acetylgalactosamine
• CAS No.: 93467-77-7
• Molecular Formula: C22H38N2O16
• Molecular Weight: 586.54
• DSSTox Substance ID: DTXSID60918415

Synonyms:Gal(1-4)GlcNAc(1-3)GalNAc;galactopyranosyl(1-4)acetylglucosaminyl(1-3)acetylgalactosamine

Chemical Property of Galactopyranosyl(1-4)acetylglucosaminyl(1-3)acetylgalactosamine

Chemical Property:

• XLogP3: -7.2
• 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:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC(C(C=O)NC(=O)C)C(C(CO)O)O)CO)OC2C(C(C(C(O2)CO)O)O)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@@H](CO)O)O)C(C=O)NC(=O)C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O

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