Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RY277R49KT
EPA CompTox DTXSID10909757

Structure

InChI Key ZKNBGGQFSSARJS-UHFFFAOYSA-N
Smiles O=C1OC(C(O)=C1O)C(OC(=O)C)COC(=O)C
InChI
InChI=1/C10H12O8/c1-4(11)16-3-6(17-5(2)12)9-7(13)8(14)10(15)18-9/h6,9,13-14H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O8
Molecular Weight 260.05
AlogP -0.27
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 119.36
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 10583-73-0
NORMAN SUSDAT
FDA SRS RY277R49KT
PubChem 54687316