Showing RIpred-Card for PS(16:1(9Z)/PGJ2) (RI01664101)

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 IDRI01664101
Compound Identification
Common NamePS(16:1(9Z)/PGJ2)
Structure
Average Molecular Weight811.4636
SMILESCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C[C@H]1C=CC(=O)[C@@H]1\C=C\[C@@H](O)CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5849.9336
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices