Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01707757
Compound Identification
Common Name2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one,7TMS,isomer#36
Structure
Average Molecular Weight857.3503
SMILESC[Si](C)(C)O[C@H]1[C@H](NC2=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3874.546
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices