Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70988523

Structure

InChI Key DUGUIFNLXSKLLQ-UHFFFAOYSA-N
Smiles O=C(OCC(CO)(CO)CO)CCCCCCCCC
InChI
InChI=1/C15H30O5/c1-2-3-4-5-6-7-8-9-14(19)20-13-15(10-16,11-17)12-18/h16-18H,2-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O5
Molecular Weight 290.21
AlogP 1.63
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 86.99
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 68818-37-1
NORMAN SUSDAT
PubChem 14251993