Showing RIpred-Card for PS(16:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) (RI01663913)

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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 IDRI01663913
Compound Identification
Common NamePS(16:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
Structure
Average Molecular Weight815.4949
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC[C@@H](O)[C@H](O)C\C=C/C\C=C/C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5665.9653
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices