Structure

InChI Key WQZGKKKJIJFFOK-GASJEMHNSA-N
Smiles OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O6
Molecular Weight 180.16
AlogP -3.22
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 110.38
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - 290 - 36
Rattus norvegicus
- - - - 73.8

Related Entries

Cross References

Resources Reference
ChEBI 4167
ChEMBL CHEMBL1222250
FDA SRS IY9XDZ35W2
Human Metabolome Database HMDB0000122
Guide to Pharmacology 4536
KEGG C00031
SureChEMBL SCHEMBL1278