Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10236737

Structure

InChI Key RRBCERZNBADYMC-UHFFFAOYSA-N
Smiles SCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC
InChI
InChI=1/C18H40O9SSi/c1-19-5-8-22-11-14-25-29(18-4-17-28,26-15-12-23-9-6-20-2)27-16-13-24-10-7-21-3/h28H,4-18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H40O9SSi
Molecular Weight 460.22
AlogP 1.28
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 24.0
Polar Surface Area 83.07
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 87994-63-6
NORMAN SUSDAT
PubChem 20261177