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

Structure

InChI Key VVSFUPBJVHRTPB-UHFFFAOYSA-N
Smiles CCCCC(=O)OCC(CO)(CO)CO
InChI
InChI=1S/C10H20O5/c1-2-3-4-9(14)15-8-10(5-11,6-12)7-13/h11-13H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O5
Molecular Weight 220.13
AlogP -0.32
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 86.99
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68424-30-6
NORMAN SUSDAT