Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01665295
Compound Identification
Common NamePS(18:2(9Z,12Z)/20:4(5Z,7E,11Z,14Z)-OH(9))
Structure
Average Molecular Weight823.4999
SMILES[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C\C=C/C(O)C\C=C/C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5903.49
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices