Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30190463

Structure

InChI Key LQZCYXCHWNQBKX-UHFFFAOYSA-N
Smiles CCCCCC(=O)CP(=O)(OC)OC
InChI
InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19O4P1
Molecular Weight 222.1
AlogP 2.62
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 52.6
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 36969-89-8
NORMAN SUSDAT
PubChem 580181
ChemSpider 504310.0