GlcNAc beta(1-3)GalNAc-alpha-Thr

Base Information

• Chemical Name: GlcNAc beta(1-3)GalNAc-alpha-Thr
• CAS No.: 286959-52-2
• Molecular Formula: C20H35N3O13
• Molecular Weight: 525.5
• DSSTox Substance ID: DTXSID90693687
• Wikidata: Q82622699
• Mol file: 286959-52-2.mol

Synonyms:GlcNAc beta(1-3)GalNAc-alpha-Thr;286959-52-2;(2S,3R)-3-[(2S,3S,4R,5R,6S)-3-acetamido-4-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid;DTXSID90693687;MFCD15072165;G0341;D90749;(2S,3R)-3-{[(2S,3S,4R,5R,6S)-3-Acetamido-4-{[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-aminobutanoic acid (non-preferred name);O-[2-Acetamido-2-deoxy-3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-alpha-D-galactopyranosyl]-L-threonine

Chemical Property of GlcNAc beta(1-3)GalNAc-alpha-Thr

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 959.478°C at 760 mmHg
• Flash Point: 534.073°C
• PSA: 266.57000
• Density: 1.526g/cm³
• LogP: -2.90400
• XLogP3: -6.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 525.21698818
• Heavy Atom Count: 36
• Complexity: 773

Purity/Quality:

98%,99%, ^*data from raw suppliers

GlcNAcβ(1-3)GalNAc-α-Thr >97.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)NC(=O)C
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)NC(=O)C)NC(=O)C