Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01701625
Compound Identification
Common NameSinalbine,2TBDMS,isomer#7
Structure
Average Molecular Weight652.2107
SMILESCC(C)(C)[Si](C)(C)OC1=CC=C(C/C(=N/OS(=O)(=O)[O-])S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3805.8616
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices