Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5GV491FN51
EPA CompTox DTXSID30914227

Structure

InChI Key AURKDQJEOYBJSQ-UHFFFAOYSA-N
Smiles O=C(OC(=O)C(O)C)C(O)C
InChI
InChI=1/C6H10O5/c1-3(7)5(9)11-6(10)4(2)8/h3-4,7-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O5
Molecular Weight 162.05
AlogP -1.18
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 83.83
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 97-73-4
NORMAN SUSDAT
FDA SRS 5GV491FN51
PubChem 101567