Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII E667O600B2
EPA CompTox DTXSID9041601

Structure

InChI Key LUBCBEANYIETCW-UHFFFAOYSA-N
Smiles OC(=O)C(=O)O.CCOP(=O)(OCC)SCCN(CC)CC
InChI
InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H24N1O3P1S1
Molecular Weight 269.12
AlogP 3.24
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 38.77
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 3734-97-2
NORMAN SUSDAT
FDA SRS E667O600B2
PubChem 19525
ChemSpider 18396.0