Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P4R35UZG89
EPA CompTox DTXSID7075135

Structure

InChI Key PVBGKAMVCZUNFQ-UHFFFAOYSA-N
Smiles CCCO[P+](=O)OCCC
InChI
InChI=1S/C6H14O3P/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O3P1
Molecular Weight 165.07
AlogP 2.5
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1809-21-8
NORMAN SUSDAT
FDA SRS P4R35UZG89
PubChem 15740
ChemSpider 191184.0