Gal(1-4)galnac(1-6)gal

Base Information

• Chemical Name: Gal(1-4)galnac(1-6)gal
• CAS No.: 99339-98-7
• Molecular Formula: C20H35 N O16
• Molecular Weight: 545.49
• DSSTox Substance ID: DTXSID70912742
• Wikidata: Q82883107
• Mol file: 99339-98-7.mol

Synonyms:betaDGal(1-4)betaDGalNAc(1-6)betaDGal;Gal(1-4)GalNAc(1-6)Gal;galactopyranosyl(1-4)-N-acetylgalactosaminyl(1-6)galactose

Chemical Property of Gal(1-4)galnac(1-6)gal

Chemical Property:

• Boiling Point: 948.5°Cat760mmHg
• PKA: 12.10±0.70(Predicted)
• Flash Point: 527.5°C
• Density: 1.71g/cm³
• XLogP3: -6.9
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 545.19558403
• Heavy Atom Count: 37
• Complexity: 747

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)O)O)O)O)CO)OC3C(C(C(C(O3)CO)O)O)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O

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