Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10952809

Structure

InChI Key CNRJHNUKTBRUGP-UHFFFAOYSA-N
Smiles O=C(COCC)P(=O)(OCC)OCC
InChI
InChI=1/C8H17O5P/c1-4-11-7-8(9)14(10,12-5-2)13-6-3/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17O5P
Molecular Weight 224.08
AlogP 1.82
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 61.83
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 30492-56-9
NORMAN SUSDAT
PubChem 121720