Showing RIpred-Card for PS(14:1(9Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (RI01663284)

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 IDRI01663284
Compound Identification
Common NamePS(14:1(9Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
Structure
Average Molecular Weight809.4479
SMILES[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/[C@@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4796.042
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices