Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FPX2NM4VIT
EPA CompTox DTXSID5058640

Structure

InChI Key KMXFZRSJMDYPPG-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H90
Molecular Weight 618.7
AlogP 17.41
Number of Rotational Bond 41.0
Heavy Atoms 44.0

Cross References

Resources Reference
CAS NUMBER 7098-22-8
NORMAN SUSDAT
FDA SRS FPX2NM4VIT
PubChem 23494