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

Structure

InChI Key BNEPIGXUGVCTIS-UHFFFAOYSA-N
Smiles CC(C)CCCCCCCOP(=O)(OCCCCCCCC(C)C)c1ccc(O)c(O)c1
InChI
InChI=1S/C26H47O5P/c1-22(2)15-11-7-5-9-13-19-30-32(29,24-17-18-25(27)26(28)21-24)31-20-14-10-6-8-12-16-23(3)4/h17-18,21-23,27-28H,5-16,19-20H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H47O5P1
Molecular Weight 470.32
AlogP 7.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 19.0
Polar Surface Area 75.99
Heavy Atoms 32.0

Cross References

Resources Reference
NORMAN SUSDAT