Showing RIpred-Card for Phosphoadenosine phosphosulfate,3TBDMS,isomer#13 (RI00060853)

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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 IDRI00060853
Compound Identification
Common NamePhosphoadenosine phosphosulfate,3TBDMS,isomer#13
Structure
Average Molecular Weight849.2457
SMILESCC(C)(C)[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6311.3247
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices