3-O-(2-Acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester

Base Information

• Chemical Name: 3-O-(2-Acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester
• CAS No.: 125316-77-0
• Molecular Formula: C21H36 N4 O11
• Molecular Weight: 520.5307
• DSSTox Substance ID: DTXSID40154738
• Wikidata: Q83022040
• Mol file: 125316-77-0.mol

Synonyms:3-O-(2-acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester;Ac-Thr(alpha-GalNAc)-Ala-Ala-OMe;ATGAAAM

Chemical Property of 3-O-(2-Acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 920.7°Cat760mmHg
• Flash Point: 510.6°C
• PSA: 235.81000
• Density: 1.35g/cm³
• LogP: -0.61650
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 520.23805798
• Heavy Atom Count: 36
• Complexity: 811

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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