Showing RIpred-Card for PI(16:0/18:1(9Z)-O(12,13)) (RI01661137)

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 IDRI01661137
Compound Identification
Common NamePI(16:0/18:1(9Z)-O(12,13))
Structure
Average Molecular Weight850.5207
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/CC1OC1CCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6028.1455
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices