Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90173070

Structure

InChI Key VGXGNFMEUOMDAJ-UHFFFAOYSA-N
Smiles OCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO
InChI
InChI=1S/C19H43N3O5/c23-15-1-6-20(7-2-16-24)11-13-22(10-5-19-27)14-12-21(8-3-17-25)9-4-18-26/h23-27H,1-19H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H43N3O5
Molecular Weight 393.32
AlogP -1.2
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 21.0
Polar Surface Area 110.87
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 19437-46-8
NORMAN SUSDAT
PubChem 88067
ChemSpider 79452.0