Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JRX9AX7374
EPA CompTox DTXSID80218449

Structure

InChI Key NYYLZXREFNYPKB-UHFFFAOYSA-N
Smiles CCOP(=O)(C)OCC
InChI
InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13O3P1
Molecular Weight 152.06
AlogP 1.88
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 683-08-9
NORMAN SUSDAT
FDA SRS JRX9AX7374
PubChem 12685
ChemSpider 12164.0