Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U5CJS27UYN
EPA CompTox DTXSID8068545

Structure

InChI Key AJZVXTZIQWSLHM-UHFFFAOYSA-N
Smiles CCCC[Sn](=O)O[Sn](=O)CCCC
InChI
InChI=1S/2C4H9.3O.2Sn/c2*1-3-4-2;;;;;/h2*1,3-4H2,2H3;;;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18O3Sn2
Molecular Weight 401.93
AlogP 2.12
Number of Rotational Bond 2.0
Polar Surface Area 85.5
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 50378-14-8
NORMAN SUSDAT
FDA SRS U5CJS27UYN