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

Structure

InChI Key YGMNHEPVTNXLLS-UHFFFAOYSA-N
Smiles OCC(O)C(O)CC(O)C(=O)O
InChI
InChI=1/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O6
Molecular Weight 180.06
AlogP -2.46
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 118.22
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1518-59-8
NORMAN SUSDAT