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

Structure

InChI Key YGTBMOOSDOYPEI-UHFFFAOYSA-N
Smiles O=P(O)(OC(C)CC(C)C)OC(C)CC(C)C
InChI
InChI=1/C12H27O4P/c1-9(2)7-11(5)15-17(13,14)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27O4P
Molecular Weight 266.16
AlogP 3.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 55.76
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 84196-07-6
NORMAN SUSDAT
PubChem 16205463