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

Structure

InChI Key OHRVKCZTBPSUIK-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCO[P](=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC
InChI
InChI=1S/C36H75O4P/c1-4-7-10-13-16-19-22-25-28-31-34-38-41(37,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H75O4P1
Molecular Weight 602.54
AlogP 13.91
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 36.0
Polar Surface Area 44.76
Heavy Atoms 41.0

Cross References

Resources Reference
CAS NUMBER 682-49-5
NORMAN SUSDAT
PubChem 69630
ChemSpider 62833.0