Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01703292
Compound Identification
Common NamePelargonidin 3-O-[b-D-Xylopyranosyl-(1->2)-a-D-glucopyranoside],4TMS,isomer#6
Structure
Average Molecular Weight853.3133
SMILESC[Si](C)(C)O[C@@H]1CO[C@@H](O[C@H]2[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6061.703
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices