Showing RIpred-Card for PS(18:3(9Z,12Z,15Z)/PGD2) (RI01665919)

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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 IDRI01665919
Compound Identification
Common NamePS(18:3(9Z,12Z,15Z)/PGD2)
Structure
Average Molecular Weight853.4741
SMILESCCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)CC1=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6115.4097
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices