Lacto-n-triaose

Base Information

• Chemical Name: Lacto-n-triaose
• CAS No.: 75645-27-1
• Molecular Formula: C20H35 N O16
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID101316368
• Metabolomics Workbench ID: 38960
• Mol file: 75645-27-1.mol

Synonyms:beta-D-GlcNAc(1-3)-beta-D-Gal(1-4)-beta-D-Glc-OMe;GlcNAc-1-3-Gal-1-4-Glc-OMe;lacto-N-triose II;methyl 2-acetamido-2-deoxyglucopyranosyl-1-3-galactopyranosyl-1-4-glucopyranoside

Chemical Property of Lacto-n-triaose

Chemical Property:

• PSA: 281.04000
• LogP: -6.58890
• XLogP3: -6.6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 12
• Exact Mass: 545.19558403
• Heavy Atom Count: 37
• Complexity: 731

Purity/Quality:

99% ^*data from raw suppliers

2-Azidoethyl lacto-N-triose II ^*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)OC(C(CO)O)C(C(C=O)O)O)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]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O