Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KS6N6SP2MG
EPA CompTox DTXSID20226881

Structure

InChI Key LUQYELQXRPNKRY-UHFFFAOYSA-N
Smiles CCOC(CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23O5P1
Molecular Weight 254.13
AlogP 2.65
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 53.99
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 7598-61-0
NORMAN SUSDAT
FDA SRS KS6N6SP2MG
PubChem 82071
ChemSpider 74069.0