Showing RIpred-Card for Taurocholic acid,2TMS,isomer#5 (RI00001135)

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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 IDRI00001135
Compound Identification
Common NameTaurocholic acid,2TMS,isomer#5
Structure
Average Molecular Weight659.3707
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4181.554
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices