Showing RIpred-Card for PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (RI01663919)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01663919
Compound Identification
Common NamePS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))
Structure
Average Molecular Weight823.4999
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC(O)\C=C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6137.017
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices