Synonyms
Molecule Category Free-form
UNII IY9XDZ35W2
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

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 -2.51
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

Cross References

Resources Reference
ChEMBL CHEMBL1222250
FDA SRS IY9XDZ35W2
PubChem 5793
SureChEMBL SCHEMBL1278