Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01708904
Compound Identification
Common Name4-hydroxy-2-nonenal-glutathione conjugate,2TBDMS,isomer#6
Structure
Average Molecular Weight687.341
SMILESCCCCCC(O)C(CC=O)SCC(C(=O)N(CC(=O)[O-])[Si](C)(C)C(C)(C)C)N(C(=O)CCC([N+])C(=O)[O-])[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3882.7935
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices