Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QN34XC755A
EPA CompTox DTXSID7042647

Structure

InChI Key PNNNRSAQSRJVSB-UHFFFAOYSA-N
Smiles CC(O)C(O)C(O)C(O)C=O
InChI
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O5
Molecular Weight 164.07
AlogP -2.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 97.99
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3615-41-6
NORMAN SUSDAT
FDA SRS QN34XC755A
PubChem 220001
ChemSpider 21376881.0