Showing RIpred-Card for PI(18:1(12Z)-O(9S,10R)/20:4(8Z,11Z,14Z,17Z)) (RI01662486)

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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 IDRI01662486
Compound Identification
Common NamePI(18:1(12Z)-O(9S,10R)/20:4(8Z,11Z,14Z,17Z))
Structure
Average Molecular Weight898.5207
SMILES[H][C@@](COC(=O)CCCCCCCC1OC1C\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)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5322.0503
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices