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

Structure

InChI Key COXVKGMTQARHPB-KTKRTIGZSA-N
Smiles O=P(OCCN)(OCCN)OCCCCCCCCC=CCCCCCCCC
InChI
InChI=1/C22H47N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-29(25,27-21-18-23)28-22-19-24/h9-10H,2-8,11-24H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H47N2O4P
Molecular Weight 434.33
AlogP 6.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 23.0
Polar Surface Area 96.8
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 85508-19-6
NORMAN SUSDAT
PubChem 20833798