Difucosyllactohexaose

Base Information

• Chemical Name: Difucosyllactohexaose
• CAS No.: 115236-57-2
• Molecular Formula: C52H88 N2 O39
• Molecular Weight: 1365.25
• Metabolomics Workbench ID: 38977
• Mol file: 115236-57-2.mol

Synonyms:Difucosyllactohexaose;O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)- D-Glucose;O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose

Chemical Property of Difucosyllactohexaose

Chemical Property:

• PSA: 649.55000
• LogP: -15.48480
• Storage Temp.: −20°C
• XLogP3: -15.2
• Hydrogen Bond Donor Count: 24
• Hydrogen Bond Acceptor Count: 39
• Rotatable Bond Count: 26
• Exact Mass: 1364.4964210
• Heavy Atom Count: 93
• Complexity: 2330

Purity/Quality:

97% ^*data from raw suppliers

DFLNNH 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: B

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)OCC4C(C(C(C(O4)OC(C(CO)O)C(C(C=O)O)O)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)C)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC[C@@H]3[C@@H](C([C@H]([C@@H](O3)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O[C@H]4[C@@H](C(C([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O