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

Structure

InChI Key SNMSNCQXWYNVQP-UHFFFAOYSA-M
Smiles CC(O)C(=O)O[Cu]OCC(O)C=O
InChI
InChI=1S/C3H5O3.C3H6O3.Cu/c4-1-3(6)2-5;1-2(4)3(5)6;/h1,3,6H,2H2;2,4H,1H3,(H,5,6);/q-1;;+2/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cu1O6
Molecular Weight 240.98
AlogP -3.98
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 120.72
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 814-81-3
NORMAN SUSDAT