Showing RIpred-Card for PS(18:3(6Z,9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (RI01665732)

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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 IDRI01665732
Compound Identification
Common NamePS(18:3(6Z,9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
Structure
Average Molecular Weight861.4792
SMILES[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/[C@@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4978.9546
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices