Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30927594

Structure

InChI Key VZPBLPQAMPVTFO-NKWOADHPSA-N
Smiles OC1OC2COC(OC2C(O)C1O)C
InChI
InChI=1/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O6
Molecular Weight 206.08
AlogP -1.81
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Polar Surface Area 88.38
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 13224-99-2
NORMAN SUSDAT
PubChem 93075