Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00927647

Structure

InChI Key UMLZKTBXNZNRFA-UHFFFAOYSA-N
Smiles O=P1(O)C(OC(OC1C(C)C)C(C)C)C(C)C
InChI
InChI=1/C12H25O4P/c1-7(2)10-15-11(8(3)4)17(13,14)12(16-10)9(5)6/h7-12H,1-6H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H25O4P
Molecular Weight 264.15
AlogP 3.25
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 55.76
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 13237-73-5
NORMAN SUSDAT
PubChem 114479