Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01664905
Compound Identification
Common NamePS(18:1(11Z)/20:3(6,8,11)-OH(5))
Structure
Average Molecular Weight827.5312
SMILES[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCC(O)\C=C\C=C\C\C=C\CCCCCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5921.564
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices