Showing RIpred-Card for PS(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z)) (RI01665742)

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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 IDRI01665742
Compound Identification
Common NamePS(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))
Structure
Average Molecular Weight851.4585
SMILES[H][C@@](COC(=O)CCC[C@H](O)[C@@H](O)\C=C/C=C\C=C\C=C\[C@H](O)C\C=C/CC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6340.5425
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices