Showing RIpred-Card for PI(16:0/20:4(5Z,8Z,11Z,13E)+=O(15)) (RI01661105)

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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 IDRI01661105
Compound Identification
Common NamePI(16:0/20:4(5Z,8Z,11Z,13E)+=O(15))
Structure
Average Molecular Weight872.5051
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C=C/C(=O)CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5719.731
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices