Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID60970659

Structure

InChI Key QWHLASPBRRZDEV-VFQQELCFSA-N
Smiles Cl.O=CC(O)C(O)C(O)C(O)CN
InChI
InChI=1/C6H13NO5.ClH/c7-1-3(9)5(11)6(12)4(10)2-8;/h2-6,9-12H,1,7H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO5
Molecular Weight 215.06
AlogP -2.99
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 124.01
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 55324-97-5
NORMAN SUSDAT
PubChem 198338