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

Structure

InChI Key HRVAYBZZZHAVCT-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/3C22H45.Al/c3*1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-22H2,2H3;/rC66H135Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67(65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-66H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H135Al
Molecular Weight 955.04
AlogP 25.95
Number of Rotational Bond 63.0
Heavy Atoms 67.0

Cross References

Resources Reference
CAS NUMBER 6651-25-8
NORMAN SUSDAT