Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TUX6M928ID
EPA CompTox DTXSID3061718

Structure

InChI Key NOJFJZZMRDSOLM-UHFFFAOYSA-N
Smiles CCOC(=O)P(=O)(OCC)OCC
InChI
InChI=1S/C7H15O5P/c1-4-10-7(8)13(9,11-5-2)12-6-3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15O5P1
Molecular Weight 210.07
AlogP 2.41
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 61.83
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 1474-78-8
NORMAN SUSDAT
FDA SRS TUX6M928ID
PubChem 65081
ChemSpider 58591.0