Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZTF9BL39F3
EPA CompTox DTXSID70227262

Structure

InChI Key NGKCHGKFHQDOPZ-UHFFFAOYSA-N
Smiles CCCCCCP(=O)(O)CCCCCC
InChI
InChI=1S/C12H27O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27O2P1
Molecular Weight 234.17
AlogP 4.42
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 37.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 7646-81-3
NORMAN SUSDAT
FDA SRS ZTF9BL39F3
PubChem 82097
ChemSpider 74093.0