Showing RIpred-Card for PS(18:3(6Z,9Z,12Z)/18:1(12Z)-O(9S,10R)) (RI01665696)

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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 IDRI01665696
Compound Identification
Common NamePS(18:3(6Z,9Z,12Z)/18:1(12Z)-O(9S,10R))
Structure
Average Molecular Weight797.4843
SMILES[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCC1OC1C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4923.5703
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices