Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7GSD980LF9
EPA CompTox DTXSID90152320

Structure

InChI Key RQIOWVGTLVTEFX-UHFFFAOYSA-N
Smiles O(C)CCOCCOCCOCCOCCOCCOCCOC
InChI
InChI=1/C16H34O8/c1-17-3-5-19-7-9-21-11-13-23-15-16-24-14-12-22-10-8-20-6-4-18-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H34O8
Molecular Weight 354.23
AlogP 0.38
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 21.0
Polar Surface Area 73.84
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 24991-55-7
NORMAN SUSDAT
FDA SRS 7GSD980LF9
PubChem 70932