Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64E63NC231
EPA CompTox DTXSID701350100

Structure

InChI Key CUOKHACJLGPRHD-UHFFFAOYSA-N
Smiles OCC1OC(=O)C(O)C1O
InChI
InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O5
Molecular Weight 148.04
AlogP -2.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 86.99
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5336-08-3
NORMAN SUSDAT
FDA SRS 64E63NC231