Showing RIpred-Card for Phosphoadenosine phosphosulfate,2TBDMS,isomer#5 (RI00060743)

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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 IDRI00060743
Compound Identification
Common NamePhosphoadenosine phosphosulfate,2TBDMS,isomer#5
Structure
Average Molecular Weight735.1592
SMILESCC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4259.955
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices