Showing RIpred-Card for PI(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/16:2(9Z,12Z)) (RI01661641)

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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 IDRI01661641
Compound Identification
Common NamePI(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/16:2(9Z,12Z))
Structure
Average Molecular Weight886.4844
SMILES[H][C@@](COC(=O)CCC[C@H](O)[C@@H](O)C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6355.8438
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices