Pyrgalcer

Base Information

• Chemical Name: Pyrgalcer
• CAS No.: 137593-41-0
• Molecular Formula: C50H71 N O8
• Molecular Weight: 814.10064
• Mol file: 137593-41-0.mol

Synonyms:1-O-galactopyranosyl-N-(10-(1-pyrene-9-enedecanoyl)sphingosine);PyrGalCer

Chemical Property of Pyrgalcer

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 986.3°Cat760mmHg
• Flash Point: 550.3°C
• PSA: 152.20000
• Density: 1.18g/cm³
• LogP: 10.08770
• XLogP3: 12.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 28
• Exact Mass: 813.51796822
• Heavy Atom Count: 59
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCC=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O