Showing RIpred-Card for 2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole,4TMS,isomer#1 (RI01708153)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01708153
Compound Identification
Common Name2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole,4TMS,isomer#1
Structure
Average Molecular Weight881.1854
SMILESCC1=C(CCOP(=O)([O-])OP(=O)([O-])OCC2OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C(O[Si](C)(C)C)C2O[Si](C)(C)C)SC(C(=O)[O-])=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5827.88
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices