Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00886962

Structure

InChI Key WHRQRNQSZWMIMU-UHFFFAOYSA-N
Smiles O=P(O)(OC)OCCO
InChI
InChI=1/C3H9O5P/c1-7-9(5,6)8-3-2-4/h4H,2-3H2,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9O5P
Molecular Weight 156.02
AlogP -0.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 75.99
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 67846-69-9
NORMAN SUSDAT
PubChem 105820