Showing RIpred-Card for Phosphoadenosine phosphosulfate,3TMS,isomer#9 (RI00060607)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00060607
Compound Identification
Common NamePhosphoadenosine phosphosulfate,3TMS,isomer#9
Structure
Average Molecular Weight723.1048
SMILESC[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4027.8567
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices