Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60940271

Structure

InChI Key PYGKDFLMCGZPHX-UHFFFAOYSA-N
Smiles O=P(OCC1OC1)(OCC2OC2)OCC3OC3
InChI
InChI=1/C9H15O7P/c10-17(14-4-7-1-11-7,15-5-8-2-12-8)16-6-9-3-13-9/h7-9H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15O7P
Molecular Weight 266.06
AlogP 0.34
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 9.0
Polar Surface Area 82.35
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 18795-33-0
NORMAN SUSDAT
PubChem 86792