GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP

Base Information

• Chemical Name: GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP
• CAS No.: 1134635-03-2
• Molecular Formula: C32H48N2O23
• Molecular Weight: 828.72
• DSSTox Substance ID: DTXSID40693692
• Wikidata: Q82622708
• Mol file: 1134635-03-2.mol

Synonyms:1134635-03-2;GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP;N-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6S)-6-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;DTXSID40693692;G0354;D90756;4-Nitrophenyl 2-acetamido-2-deoxy-alpha-L-allopyranosyl-(1->3)-beta-L-allopyranosyl-(1->4)-alpha-L-allopyranosyl-(1->4)-alpha-L-gulopyranoside

Chemical Property of GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP

Chemical Property:

• PSA: 395.01000
• LogP: -6.24660
• Storage Temp.: <0°C
• XLogP3: -6.3
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 13
• Exact Mass: 828.26478578
• Heavy Atom Count: 57
• Complexity: 1290

Purity/Quality:

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

GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP >88.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5=CC=C(C=C5)[N+](=O)[O-])CO)CO)CO)O)CO)O)O
• Isomeric SMILES: CC(=O)N[C@H]1[C@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)O[C@H]3[C@@H](O[C@H]([C@H]([C@H]3O)O)O[C@@H]4[C@@H](O[C@H]([C@H]([C@H]4O)O)OC5=CC=C(C=C5)[N+](=O)[O-])CO)CO)CO)O)CO)O)O