Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9GV07UB7SV
EPA CompTox DTXSID6061783

Structure

InChI Key GUBWMRCVCQFLOJ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H66S2
Molecular Weight 514.46
AlogP 13.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 31.0
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 1561-75-7
NORMAN SUSDAT
FDA SRS 9GV07UB7SV
PubChem 73798
ChemSpider 66435.0