Showing RIpred-Card for PI(16:0/5-iso PGF2VI) (RI01661094)

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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 IDRI01661094
Compound Identification
Common NamePI(16:0/5-iso PGF2VI)
Structure
Average Molecular Weight880.4949
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](C\C=C/CC(=O)O1)[C@@H](O)C[C@@H](O)[C@H](\C=C/[C@H](O)CCCCC)[C@@H](O)[C@H]2O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5852.3467
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices