Showing RIpred-Card for Serdexmethylphenidate,2TBDMS,isomer#1 (RI01721909)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01721909
Compound Identification
Common NameSerdexmethylphenidate,2TBDMS,isomer#1
Structure
Average Molecular Weight727.3684
SMILESCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3979.5525
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices