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

Structure

InChI Key VASLEPDZAKCNJX-UHFFFAOYSA-N
Smiles O=C1OC(C(O)C)C(O)C1O
InChI
InChI=1/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O5
Molecular Weight 162.05
AlogP -1.99
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 86.99
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 24286-28-0
NORMAN SUSDAT
PubChem 242516