Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01658487
Compound Identification
Common NamePGP(a-13:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))
Structure
Average Molecular Weight822.4084
SMILES[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCC\C=C/C\C=C/C=C/C(O)C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4401.4272
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices