Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01663810
Compound Identification
Common NamePS(TXB2/16:0)
Structure
Average Molecular Weight849.5003
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C[C@H]1[C@@H](O)CC(O)O[C@@H]1\C=C\[C@@H](O)CCCCC)COP(O)(=O)OC[C@H](N)C(O)=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6088.4854
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices