Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5072064

Structure

InChI Key XGLVDUUYFKXKPL-UHFFFAOYSA-N
Smiles COCCOCCN(CCOCCOC)CCOCCOC
InChI
InChI=1S/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H33N1O6
Molecular Weight 323.23
AlogP 0.28
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 18.0
Polar Surface Area 58.62
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 70384-51-9
NORMAN SUSDAT
PubChem 112414
ChemSpider 21347.0