Showing RIpred-Card for PS(14:0/PGE2) (RI01662580)

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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 IDRI01662580
Compound Identification
Common NamePS(14:0/PGE2)
Structure
Average Molecular Weight803.4585
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)CCCCC)[C@H](O)CC1=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5761.5205
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices