Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90951931

Structure

InChI Key GFQMBVPKXZQUHJ-UHFFFAOYSA-N
Smiles O=P(OCCO)(OCC(CC)CCCC)OCC(CC)CCCC
InChI
InChI=1/C18H39O5P/c1-5-9-11-17(7-3)15-22-24(20,21-14-13-19)23-16-18(8-4)12-10-6-2/h17-19H,5-16H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H39O5P
Molecular Weight 366.25
AlogP 5.57
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 64.99
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 29398-98-9
NORMAN SUSDAT
PubChem 122368