Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01701591
Compound Identification
Common NameSinalbine,4TBDMS,isomer#4
Structure
Average Molecular Weight880.3837
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](S/C(CC2=CC=C(O)C=C2)=N\OS(=O)(=O)[O-])[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4363.775
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices