Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30975873

Structure

InChI Key UEWVYUPDLTWIHL-UHFFFAOYSA-N
Smiles O=C(OCC1OC1)C(=O)OCC2OC2
InChI
InChI=1/C8H10O6/c9-7(13-3-5-1-11-5)8(10)14-4-6-2-12-6/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O6
Molecular Weight 202.05
AlogP -1.13
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 77.66
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 60468-47-5
NORMAN SUSDAT
PubChem 108462