Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01664208
Compound Identification
Common NamePS(16:1(9Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
Structure
Average Molecular Weight827.4585
SMILES[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC[C@@H](O)[C@H](O)\C=C/C=C\C=C\C=C\[C@@H](O)C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4888.0312
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices