Showing RIpred-Card for Umbralisib,1TMS,isomer#1 (RI01721922)

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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 IDRI01721922
Compound Identification
Common NameUmbralisib,1TMS,isomer#1
Structure
Average Molecular Weight643.2227
SMILESCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C)=C23)C=C1F
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4558.5923
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices