Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5Z05LK9T3J
EPA CompTox DTXSID8067658

Structure

InChI Key UDXXYUDJOHIIDZ-UHFFFAOYSA-N
Smiles OP(=O)(O)OCCOC(=O)C=C
InChI
InChI=1S/C5H9O6P/c1-2-5(6)10-3-4-11-12(7,8)9/h2H,1,3-4H2,(H2,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9O6P1
Molecular Weight 196.01
AlogP -0.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 93.06
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 32120-16-4
NORMAN SUSDAT
FDA SRS 5Z05LK9T3J
PubChem 169406
ChemSpider 148157.0