Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5ZVG841V2P

Structure

InChI Key FNZVPOPUGCLHJA-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/3C20H41.Al/c3*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;/h3*1,3-20H2,2H3;/rC60H123Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61(59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-60H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C60H123Al
Molecular Weight 870.94
AlogP 23.61
Number of Rotational Bond 57.0
Heavy Atoms 61.0

Cross References

Resources Reference
CAS NUMBER 1529-57-3
NORMAN SUSDAT
FDA SRS 5ZVG841V2P