Showing RIpred-Card for Taurocholic acid,1TMS,isomer#1 (RI00001126)

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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 IDRI00001126
Compound Identification
Common NameTaurocholic acid,1TMS,isomer#1
Structure
Average Molecular Weight587.3312
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4179.115
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices