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

Structure

InChI Key UJTQBEHQOLXVAK-UHFFFAOYSA-N
Smiles CCOC(=O)C(C)=CCP(=O)(OCC)OCC
InChI
InChI=1S/C11H21O5P/c1-5-14-11(12)10(4)8-9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21O5P1
Molecular Weight 264.11
AlogP 2.76
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 61.83
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 122009-11-4
NORMAN SUSDAT
PubChem 54356988
ChemSpider 35798769.0