Showing RIpred-Card for PS(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) (RI01663933)

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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 IDRI01663933
Compound Identification
Common NamePS(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))
Structure
Average Molecular Weight823.4999
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C=C/C(O)C\C=C/C\C=C/CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5915.991
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices