Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 676G4RQ6ND
EPA CompTox DTXSID7061988

Structure

InChI Key BLKXLEPPVDUHBY-UHFFFAOYSA-N
Smiles CC(C)O[P+](=O)OC(C)C
InChI
InChI=1S/C6H14O3P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O3P1
Molecular Weight 165.07
AlogP 2.49
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1809-20-7
NORMAN SUSDAT
FDA SRS 676G4RQ6ND
PubChem 3072
ChemSpider 10449943.0