Showing RIpred-Card for PS(20:4(5Z,8Z,10E,14Z)-OH(12S)/18:3(6Z,9Z,12Z)) (RI01665591)

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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 IDRI01665591
Compound Identification
Common NamePS(20:4(5Z,8Z,10E,14Z)-OH(12S)/18:3(6Z,9Z,12Z))
Structure
Average Molecular Weight821.4843
SMILES[H][C@@](COC(=O)CCC\C=C/C\C=C/C=C/[C@H](O)C\C=C/CCCCC)(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 Index4938.3965
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices