Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 545YL308OW
EPA CompTox DTXSID80861797

Structure

InChI Key DTBNBXWJWCWCIK-UHFFFAOYSA-N
Smiles C=C(C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5O6P1
Molecular Weight 167.98
AlogP -0.31
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 104.06
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 138-08-9
NORMAN SUSDAT
FDA SRS 545YL308OW
ChemSpider 980.0