2'-O-fucosyllactose

Base Information

• Chemical Name: 2'-O-fucosyllactose
• CAS No.: 41263-94-9
• Molecular Formula: C18H32 O15
• Molecular Weight: 488.443
• Hs Code.: 29400090
• European Community (EC) Number: 807-054-1
• UNII: XO2533XO8R
• DSSTox Substance ID: DTXSID40194179
• Nikkaji Number: J1.099.711I
• Wikipedia: 2%27-Fucosyllactose
• Wikidata: Q4596726
• Metabolomics Workbench ID: 38020
• ChEMBL ID: CHEMBL4297252
• Mol file: 41263-94-9.mol

Synonyms:2'-fucosyllactose;2-fucosyllactose

Chemical Property of 2'-O-fucosyllactose

Chemical Property:

• Melting Point: 230-231 °C (decomp)
• Boiling Point: 902.2±65.0 °C(Predicted)
• PKA: 12.39±0.20(Predicted)
• Flash Point: 311.9oC
• PSA: 248.45000
• Density: 1.548 g/cm3
• LogP: -6.54540
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble2 mg + 0.2 mL, clear, colorless
• XLogP3: -6.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 488.17412031
• Heavy Atom Count: 33
• Complexity: 609

Purity/Quality:

99% ^*data from raw suppliers

2'- ^*data from reagent suppliers

Safty Information:

• Hazard Codes: B
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C(CO)O)C(C(C=O)O)O)CO)O)O)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]([C@H](O[C@H]2O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)O
• Uses: 2''-Fucosyllactose - Synthetic (cas# 41263-94-9) is a human milk sugar oligosaccharide used in infant nutritian products.