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

Structure

InChI Key LKDRXBCSQODPBY-ARQDHWQXSA-N
Smiles OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O6
Molecular Weight 180.06
AlogP -3.22
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 110.38
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 7660-25-5
NORMAN SUSDAT