Showing RIpred-Card for S-adenosyl-4-methylthio-2-oxobutanoate,4TMS,isomer#7 (RI01714321)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01714321
Compound Identification
Common NameS-adenosyl-4-methylthio-2-oxobutanoate,4TMS,isomer#7
Structure
Average Molecular Weight686.271
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)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4418.754
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices