Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00060528
Compound Identification
Common NameNicotinic acid mononucleotide,1TBDMS,isomer#1
Structure
Average Molecular Weight450.1344
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3061.0566
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices