Showing RIpred-Card for Alpelisib,3TBDMS,isomer#1 (RI01722363)

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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 IDRI01722363
Compound Identification
Common NameAlpelisib,3TBDMS,isomer#1
Structure
Average Molecular Weight783.4041
SMILESCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C(C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3183.5012
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices