Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 54979W5TJB
EPA CompTox DTXSID40207738

Structure

InChI Key LIPOUNRJVLNBCD-UHFFFAOYSA-N
Smiles CC(=O)OP(=O)(O)O
InChI
InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5O5P
Molecular Weight 139.99
AlogP -0.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 83.83
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 590-54-5
NORMAN SUSDAT
FDA SRS 54979W5TJB
PubChem 186