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

Structure

InChI Key JGOJQVLHSPGMOC-UHFFFAOYSA-N
Smiles CCO[Sb](OCC)OCC
InChI
InChI=1/3C2H5O.Sb/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3/rC6H15O3Sb/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6O.1/3Sb
Molecular Weight 256.01
AlogP 1.08
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 27.69
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10433-06-4
NORMAN SUSDAT