Showing RIpred-Card for Phosphoadenosine phosphosulfate,4TMS,isomer#16 (RI00060724)

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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 IDRI00060724
Compound Identification
Common NamePhosphoadenosine phosphosulfate,4TMS,isomer#16
Structure
Average Molecular Weight795.1443
SMILESC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3816.3413
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices