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

Structure

InChI Key CYJNDOQNVXFIJC-XUQKIGAKSA-N
Smiles O=CC(O)C(O)C1OC(OCC1O)C
InChI
InChI=1/C8H14O6/c1-4-13-3-6(11)8(14-4)7(12)5(10)2-9/h2,4-8,10-12H,3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O6
Molecular Weight 206.08
AlogP -1.97
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 96.22
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 13403-24-2
NORMAN SUSDAT
PubChem 114511