Showing RIpred-Card for PS(15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (RI01663495)

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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 IDRI01663495
Compound Identification
Common NamePS(15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Structure
Average Molecular Weight801.4792
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC[C@@H](O)\C=C/C=C/C=C/[C@@H](O)C\C=C/CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5898.9053
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices