Showing RIpred-Card for Selpercatinib,1TMS,isomer#1 (RI01722215)

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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 IDRI01722215
Compound Identification
Common NameSelpercatinib,1TMS,isomer#1
Structure
Average Molecular Weight597.2884
SMILESCOC1=CC=C(CN2C3CC2CN(C2=CC=C(C4=CC(OCC(C)(C)O[Si](C)(C)C)=CN5N=CC(C#N)=C45)C=N2)C3)C=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4501.071
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices