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

Structure

InChI Key GPGULEOZHQSGDG-UHFFFAOYSA-N
Smiles CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCO[P](O)(O)=O
InChI
InChI=1S/C27H49O10P/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)36-24-22-34-20-18-32-16-14-31-15-17-33-19-21-35-23-25-37-38(28,29)30/h9-10,12-13H,2-8,11,14-25H2,1H3,(H2,28,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H49O10P1
Molecular Weight 564.31
AlogP 4.55
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 28.0
Polar Surface Area 122.14
Heavy Atoms 38.0

Cross References

Resources Reference
CAS NUMBER 29994-44-3
NORMAN SUSDAT
PubChem 169116
ChemSpider 147911.0