Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4640B0V5TI

Structure

InChI Key FJDJZPWIPLUDIZ-UHFFFAOYSA-N
Smiles CCC[P](O)(=O)OCC
InChI
InChI=1S/C5H13O3P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13O3P1
Molecular Weight 152.06
AlogP 1.62
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 21921-96-0
NORMAN SUSDAT
FDA SRS 4640B0V5TI