Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T7KF2T6W95
EPA CompTox DTXSID6058768

Structure

InChI Key GNGACRATGGDKBX-UHFFFAOYSA-N
Smiles OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7O6P1
Molecular Weight 170.0
AlogP -1.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 104.06
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 57-04-5
NORMAN SUSDAT
FDA SRS T7KF2T6W95
PubChem 668
ChemSpider 648.0