Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00242963

Structure

InChI Key NEOLZRRZILOFCB-UHFFFAOYSA-N
Smiles OCC(CO)(CO)COCC(CO)(CO)COC
InChI
InChI=1/C11H24O7/c1-17-7-11(5-15,6-16)9-18-8-10(2-12,3-13)4-14/h12-16H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24O7
Molecular Weight 268.15
AlogP -2.42
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 11.0
Polar Surface Area 119.61
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 97417-00-0
NORMAN SUSDAT
PubChem 3024891