Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01663889
Compound Identification
Common NamePS(16:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))
Structure
Average Molecular Weight797.4843
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5904.585
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices