Showing RIpred-Card for Taurocholic acid,3TMS,isomer#6 (RI00001146)

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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 IDRI00001146
Compound Identification
Common NameTaurocholic acid,3TMS,isomer#6
Structure
Average Molecular Weight731.4103
SMILESC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[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 Index4170.4443
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices