Showing RIpred-Card for PS(18:3(9Z,12Z,15Z)/PGE2) (RI01665913)

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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 IDRI01665913
Compound Identification
Common NamePS(18:3(9Z,12Z,15Z)/PGE2)
Structure
Average Molecular Weight853.4741
SMILESCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\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
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6123.274
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices