Showing RIpred-Card for Taurocholic acid (RI00001176)

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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 IDRI00001176
Compound Identification
Common NameTaurocholic acid
Structure
Average Molecular Weight515.2917
SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5456.6475
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices