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

Structure

InChI Key BRNJNPGJNOISRQ-UHFFFAOYSA-N
Smiles OCCCCCCCCCCCCCCCCCCCCP1C2CCC1CCCC2
InChI
InChI=1S/C28H55OP/c29-25-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-26-30-27-21-17-18-22-28(30)24-23-27/h27-29H,1-26H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H55O1P1
Molecular Weight 438.4
AlogP 9.59
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 20.0
Polar Surface Area 20.23
Heavy Atoms 30.0

Cross References

Resources Reference
NORMAN SUSDAT