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

Structure

InChI Key OHWCAVRRXKJCRB-PAMBMQIZSA-N
Smiles OC1C(O)C(OC)OC(C)C1O
InChI
InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O5
Molecular Weight 178.08
AlogP -1.54
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 79.15
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 14917-55-6
NORMAN SUSDAT
PubChem 84695