Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01662874
Compound Identification
Common NamePS(14:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))
Structure
Average Molecular Weight795.4686
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CC\C=C/CC(O)\C=C/C=C\C\C=C/C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5718.4194
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices