Showing RIpred-Card for PI(16:2(9Z,12Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (RI01661548)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01661548
Compound Identification
Common NamePI(16:2(9Z,12Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Structure
Average Molecular Weight886.4844
SMILES[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC[C@@H](O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6492.194
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices