Showing RIpred-Card for PG(PGE2/a-21:0) (RI01652636)

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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 IDRI01652636
Compound Identification
Common NamePG(PGE2/a-21:0)
Structure
Average Molecular Weight888.5728
SMILESCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCC(C)CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5357.583
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices