Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00060512
Compound Identification
Common NameNicotinic acid mononucleotide,1TMS,isomer#3
Structure
Average Molecular Weight408.0874
SMILESC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index2764.6055
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices