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

Structure

InChI Key XYBHCMGLEZCOAI-UHFFFAOYSA-N
Smiles CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCCO
InChI
InChI=1S/C24H51O2P/c1-3-5-7-9-14-18-22-27(26,23-19-15-10-8-6-4-2)24-20-16-12-11-13-17-21-25/h25H,3-24H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H51O2P1
Molecular Weight 402.36
AlogP 8.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 22.0
Polar Surface Area 37.3
Heavy Atoms 27.0

Cross References

Resources Reference
NORMAN SUSDAT