Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01707768
Compound Identification
Common Name2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one,7TMS,isomer#47
Structure
Average Molecular Weight857.3503
SMILESC[Si](C)(C)NC1=NC(N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[Si](C)(C)C)=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4085.8643
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices