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

Structure

InChI Key UFTFJSFQGQCHQW-UHFFFAOYSA-N
Smiles C(C(COC=O)OC=O)OC=O
InChI
InChI=1S/C6H8O6/c7-3-10-1-6(12-5-9)2-11-4-8/h3-6H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O6
Molecular Weight 176.03
AlogP -1.13
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 78.9
Heavy Atoms 12.0

Cross References

Resources Reference
NORMAN SUSDAT