Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50878074

Structure

InChI Key DSFHXKRFDFROER-UHFFFAOYSA-N
Smiles C1COCCOCCOCCOCCOc2ccccc2O1
InChI
InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24O6
Molecular Weight 312.16
AlogP 1.52
Hydrogen Bond Acceptor 6.0
Polar Surface Area 55.38
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 14098-24-9
NORMAN SUSDAT
PubChem 585779
ChemSpider 509179.0