Showing RIpred-Card for S-adenosyl-4-methylthio-2-oxobutanoate,4TMS,isomer#9 (RI01714267)

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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 IDRI01714267
Compound Identification
Common NameS-adenosyl-4-methylthio-2-oxobutanoate,4TMS,isomer#9
Structure
Average Molecular Weight686.271
SMILESC[S+](CCC(=O)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3401.5137
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices