Showing RIpred-Card for PGP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/a-13:0) (RI01658513)

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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 IDRI01658513
Compound Identification
Common NamePGP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/a-13:0)
Structure
Average Molecular Weight840.419
SMILES[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC[C@@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)CCCCC)OC(=O)CCCCCCCCC(C)CC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6011.7124
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices