Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NU248UD7AJ
EPA CompTox DTXSID5068108

Structure

InChI Key RFANYEWAHJJLAD-UHFFFAOYSA-N
Smiles CC(=O)OC(=O)CCCCC(=O)OC(=O)C
InChI
InChI=1S/C10H14O6/c1-7(11)15-9(13)5-3-4-6-10(14)16-8(2)12/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O6
Molecular Weight 230.08
AlogP 0.73
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 86.74
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 38478-77-2
NORMAN SUSDAT
FDA SRS NU248UD7AJ
PubChem 162313
ChemSpider 142529.0