Showing RIpred-Card for Phosphoadenosine phosphosulfate,4TMS,isomer#17 (RI00060633)

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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 IDRI00060633
Compound Identification
Common NamePhosphoadenosine phosphosulfate,4TMS,isomer#17
Structure
Average Molecular Weight795.1443
SMILESC[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4170.2866
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices