3'-Sialyllactose

Base Information

• Chemical Name: 3'-Sialyllactose
• CAS No.: 35890-38-1
• Deprecated CAS: 138250-08-5,14647-74-6,17337-31-4,21973-22-8,26950-24-3,36816-07-6,74642-84-5,97839-18-4,3001-90-9,10012-84-7,23656-46-4,26571-75-5,52006-96-9,668418-20-0,869846-98-0,874120-69-1,24891-62-1,1096702-71-4
• Molecular Formula: C23H39 N O19
• Molecular Weight: 633.5511
• UNII: 3J7TAL60G3
• DSSTox Substance ID: DTXSID30905216
• Nikkaji Number: J603.805K
• Wikidata: Q3482888
• Metabolomics Workbench ID: 37449
• Mol file: 35890-38-1.mol

Synonyms:3'-sialyllactose;N-acetylneuraminyl-2-3-galactopyranosyl-1-4-glucopyranose

Chemical Property of 3'-Sialyllactose

Chemical Property:

• Boiling Point: 1132.8 ºC at 760 mmHg
• PKA: 1.92±0.70(Predicted)
• Flash Point: 638.9 ºC
• PSA: 342.92000
• Density: 1.72 g/cm³
• LogP: -7.98990
• Storage Temp.: −20°C
• XLogP3: -7.5
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 633.21162801
• Heavy Atom Count: 43
• Complexity: 927

Purity/Quality:

≥95% ^*data from raw suppliers

3′-Sialyllactose from bovine milk or colostrum, ≥97% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): B
• Hazard Codes: B

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[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)O
• Uses: 3′-Sialyllactose is a compound where in the acetylneuraminyl (NANA) unit is connected to the galactosyl unit of lactose at the 3 position. In 6′-sialylactose, this connection is at the 6 position. 3′-Sialyllactose and 6′-Sialyllactose are used to differentiate and characterize binding domains of viruses, such as influenza and rhinitis viruses, that recognize NANA capped cell surface receptors. 3′-Sialyllactose and 6′-sialylactose are used as reference compounds in analytical methods developed to measure their presence in materials such as milk and colostrums.