Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9Q8AMY2C8N
EPA CompTox DTXSID60240889

Structure

InChI Key RJAXJFWBJQWSHY-UHFFFAOYSA-N
Smiles O=P(OCCCCOC)(OCCCCOC)OCCCCOC
InChI
InChI=1/C15H33O7P/c1-17-10-4-7-13-20-23(16,21-14-8-5-11-18-2)22-15-9-6-12-19-3/h4-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H33O7P
Molecular Weight 356.2
AlogP 3.42
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 18.0
Polar Surface Area 72.45
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 94160-08-4
NORMAN SUSDAT
FDA SRS 9Q8AMY2C8N
PubChem 3023884