Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60185286

Structure

InChI Key HDLXPNDSLDLJHF-UHFFFAOYSA-N
Smiles C1COCCN2CCOCCOCCN(CCO1)CCOCC2
InChI
InChI=1S/C16H32N2O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h1-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32N2O5
Molecular Weight 332.23
AlogP -0.3
Hydrogen Bond Acceptor 7.0
Polar Surface Area 52.63
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 31364-42-8
NORMAN SUSDAT
PubChem 123438
ChemSpider 110034.0