Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII 29L5I58185
EPA CompTox DTXSID40209656

Structure

InChI Key ZOTSUVWAEYHZRI-JJKGCWMISA-M
Smiles [Li+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
InChI
InChI=1S/C6H12O7.Li/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11LiO7
Molecular Weight 202.07
AlogP -7.82
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 141.28
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 60816-70-8
NORMAN SUSDAT
FDA SRS 29L5I58185