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

Structure

InChI Key MVXVKVRJXKSIEH-UHFFFAOYSA-N
Smiles CCCCCCP(=O)(CCCCCC)CCCCCCCCO
InChI
InChI=1S/C20H43O2P/c1-3-5-7-14-18-23(22,19-15-8-6-4-2)20-16-12-10-9-11-13-17-21/h21H,3-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H43O2P1
Molecular Weight 346.3
AlogP 6.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 37.3
Heavy Atoms 23.0

Cross References

Resources Reference
NORMAN SUSDAT