3'-Sialyl-3-fucosyllactose

Base Information

• Chemical Name: 3'-Sialyl-3-fucosyllactose
• CAS No.: 122560-33-2
• Molecular Formula: C29H49 N O23
• Molecular Weight: 779.69
• Wikidata: Q27160314
• Metabolomics Workbench ID: 38971
• Mol file: 122560-33-2.mol

Synonyms:3'-Sialyl-3-fucosyllactose;3-Sialyl-3-fucosyllactose;CHEBI:88442;Q27160314;(2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucose;O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-glucose

Chemical Property of 3'-Sialyl-3-fucosyllactose

Chemical Property:

• Boiling Point: 1238.4°Cat760mmHg
• Flash Point: 702.8°C
• PSA: 394.00000
• Density: 1.72g/cm³
• LogP: -8.98070
• Storage Temp.: −20°C
• XLogP3: -8.6
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 17
• Exact Mass: 779.26953681
• Heavy Atom Count: 53
• Complexity: 1200

Purity/Quality:

99%min ^*data from raw suppliers

3'-Sialyl-3-fucosyllactose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC(C(C=O)O)C(C(CO)O)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O