Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WT3D5Q9EPC
EPA CompTox DTXSID60937146

Structure

InChI Key STJWVOQLJPNAQL-UHFFFAOYSA-N
Smiles O=P(OCC)(OCC)CP(=O)(OCC)OCC
InChI
InChI=1/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22O6P2
Molecular Weight 288.09
AlogP 3.48
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 10.0
Polar Surface Area 71.06
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 1660-94-2
NORMAN SUSDAT
FDA SRS WT3D5Q9EPC
PubChem 15455