3'-Sulfogalactosylceramide

Base Information

• Chemical Name: 3'-Sulfogalactosylceramide
• CAS No.: 151122-71-3
• Molecular Formula: C48H93 N O11 S
• Molecular Weight: 892.32
• DSSTox Substance ID: DTXSID901110847
• Wikidata: Q27127214
• Metabolomics Workbench ID: 37032
• Mol file: 151122-71-3.mol

Synonyms:3'-sulfo-galactosylceramide;3'-sulfogalactosylceramide;3-sulfated galactosylceramide;I(3)SO3-galactosylceramide;I(3)SO3-GalCer

Chemical Property of 3'-Sulfogalactosylceramide

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.61±0.18(Predicted)
• Flash Point: °C
• PSA: 200.46000
• Density: 1.09g/cm³
• LogP: 11.80680
• XLogP3: 15.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 43
• Exact Mass: 891.64693396
• Heavy Atom Count: 61
• Complexity: 1140

Purity/Quality:

99%min ^*data from raw suppliers

C24 3'-sulfo Galactosylceramide (d18:1/24:0) ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O