Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01664333
Compound Identification
Common NamePS(18:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))
Structure
Average Molecular Weight827.5312
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(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 Index5685.0317
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices