Showing RIpred-Card for PS(16:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) (RI01663753)

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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 IDRI01663753
Compound Identification
Common NamePS(16:0/20:4(5Z,8Z,10E,14Z)-OH(12S))
Structure
Average Molecular Weight799.4999
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5772.5107
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices