Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OQ72CPY58Z
EPA CompTox DTXSID5052597

Structure

InChI Key YSAVZVORKRDODB-UHFFFAOYSA-N
Smiles O=C(OCC)C(O)C(O)C(=O)OCC
InChI
InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O6
Molecular Weight 206.08
AlogP -1.17
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 93.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 87-91-2
NORMAN SUSDAT
FDA SRS OQ72CPY58Z
PubChem 62333