Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6065927

Structure

InChI Key NSSMTQDEWVTEKN-UHFFFAOYSA-N
Smiles CCOP(C)OCC
InChI
InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13O2P1
Molecular Weight 136.07
AlogP 2.0
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 15715-41-0
NORMAN SUSDAT
PubChem 85063
ChemSpider 76727.0