Showing RIpred-Card for PS(LTE4/14:0) (RI01662612)

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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 IDRI01662612
Compound Identification
Common NamePS(LTE4/14:0)
Structure
Average Molecular Weight890.4727
SMILESCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC)[C@@H](O)CCCC(O)=O)COP(O)(=O)OC[C@H](N)C(O)=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5527.411
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices