Showing RIpred-Card for S-Adenosylmethionine,4TMS,isomer#12 (RI00063704)

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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 IDRI00063704
Compound Identification
Common NameS-Adenosylmethionine,4TMS,isomer#12
Structure
Average Molecular Weight687.3026
SMILESC[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3452.9082
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices