Showing RIpred-Card for PS(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) (RI01664639)

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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 IDRI01664639
Compound Identification
Common NamePS(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S))
Structure
Average Molecular Weight825.5156
SMILES[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCC[C@H](C)O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5752.481
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices