Showing RIpred-Card for PS(18:1(11Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) (RI01664676)

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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 IDRI01664676
Compound Identification
Common NamePS(18:1(11Z)/20:4(5E,8Z,12Z,14Z)-OH(11R))
Structure
Average Molecular Weight825.5156
SMILES[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C\C\C=C/C[C@@H](O)\C=C/C=C\CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5075.3247
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices