Showing RIpred-Card for PS(18:3(6Z,9Z,12Z)/PGE2) (RI01665605)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01665605
Compound Identification
Common NamePS(18:3(6Z,9Z,12Z)/PGE2)
Structure
Average Molecular Weight853.4741
SMILESCCCCC\C=C/C\C=C/C\C=C/CCCCC(=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 Index5905.5713
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices