Showing RIpred-Card for PS(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/16:0) (RI01663947)

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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 IDRI01663947
Compound Identification
Common NamePS(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/16:0)
Structure
Average Molecular Weight839.4949
SMILES[H][C@@](COC(=O)CC\C=C/C\C=C/C[C@H](O)\C=C\C=C/C=C/[C@H](O)C\C=C/CC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5039.5503
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices