Showing RIpred-Card for phosphoadenosine-5'-phosphosulfate,2TMS,isomer#1 (RI01714028)

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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 IDRI01714028
Compound Identification
Common Namephosphoadenosine-5'-phosphosulfate,2TMS,isomer#1
Structure
Average Molecular Weight647.0362
SMILESC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=O)(=O)[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3369.1357
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices