Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20203197

Structure

InChI Key TZPPDWDHNIMTDQ-UHFFFAOYSA-N
Smiles COP(=O)(CCO)OC
InChI
InChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11O4P1
Molecular Weight 154.04
AlogP 0.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.76
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 54731-72-5
NORMAN SUSDAT
PubChem 2733833
ChemSpider 2015600.0