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

Structure

InChI Key FDCWERGDFBPCQG-UHFFFAOYSA-N
Smiles OCCCOCCN(CCOCCCO)CCOCCCO
InChI
InChI=1S/C15H33NO6/c17-7-1-10-20-13-4-16(5-14-21-11-2-8-18)6-15-22-12-3-9-19/h17-19H,1-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H33N1O6
Molecular Weight 323.23
AlogP -0.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 18.0
Polar Surface Area 91.62
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 37208-53-0
NORMAN SUSDAT
PubChem 169866
ChemSpider 148548.0