Showing RIpred-Card for PI(20:4(5Z,7E,11Z,14Z)-OH(9)/16:1(9Z)) (RI01661307)

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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 IDRI01661307
Compound Identification
Common NamePI(20:4(5Z,7E,11Z,14Z)-OH(9)/16:1(9Z))
Structure
Average Molecular Weight872.5051
SMILES[H][C@@](COC(=O)CCC\C=C\C=C/C(O)C\C=C/C\C=C/CCCCC)(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/CCCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5080.9873
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices