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

Structure

InChI Key QBTRZYOPYJCGLQ-UHFFFAOYSA-N
Smiles O=C(OCCP(=O)(OC)OC)CCCCCCCCCCC
InChI
InChI=1/C16H33O5P/c1-4-5-6-7-8-9-10-11-12-13-16(17)21-14-15-22(18,19-2)20-3/h4-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H33O5P
Molecular Weight 336.21
AlogP 4.94
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 15.0
Polar Surface Area 61.83
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 75905-36-1
NORMAN SUSDAT
PubChem 174285