Showing RIpred-Card for Leukotriene C4,1TBDMS,isomer#6 (RI00065508)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00065508
Compound Identification
Common NameLeukotriene C4,1TBDMS,isomer#6
Structure
Average Molecular Weight739.3898
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC(=O)O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5542.37
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices