Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key BBAQENYXFSRJGL-UHFFFAOYSA-N
Smiles CCCCCCCCP(=O)(CCCCCC)CCCCCCCCO
InChI
InChI=1S/C22H47O2P/c1-3-5-7-9-13-17-21-25(24,20-16-8-6-4-2)22-18-14-11-10-12-15-19-23/h23H,3-22H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H47O2P1
Molecular Weight 374.33
AlogP 7.62
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 20.0
Polar Surface Area 37.3
Heavy Atoms 25.0

Cross References

Resources Reference
NORMAN SUSDAT