Showing RIpred-Card for S-adenosyl-4-methylthio-2-oxobutanoate,5TMS,isomer#1 (RI01714270)

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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 IDRI01714270
Compound Identification
Common NameS-adenosyl-4-methylthio-2-oxobutanoate,5TMS,isomer#1
Structure
Average Molecular Weight758.3105
SMILESC[S+](CC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[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 Index3230.2498
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices