Showing RIpred-Card for isoleucine betaine,4TMS,isomer#53 (RI01716025)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01716025
Compound Identification
Common Nameisoleucine betaine,4TMS,isomer#53
Structure
Average Molecular Weight866.3217
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6058.4165
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices