Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7FU5D2RUBW

Structure

InChI Key URRFGQHFJDWCFM-UHFFFAOYSA-N
Smiles CCCCOCCOP(OCCOCCCC)OCCOCCCC
InChI
InChI=1S/C18H39O6P/c1-4-7-10-19-13-16-22-25(23-17-14-20-11-8-5-2)24-18-15-21-12-9-6-3/h4-18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H39O6P1
Molecular Weight 382.25
AlogP 4.71
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 21.0
Polar Surface Area 55.38
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 2718-67-4
NORMAN SUSDAT
FDA SRS 7FU5D2RUBW