Showing RIpred-Card for Sarecycline,3TBDMS,isomer#4 (RI01722618)

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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 IDRI01722618
Compound Identification
Common NameSarecycline,3TBDMS,isomer#4
Structure
Average Molecular Weight829.4549
SMILESCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4193.5103
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices