Showing RIpred-Card for Isobutyryl-CoA (RI00067394)

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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 IDRI00067394
Compound Identification
Common NameIsobutyryl-CoA
Structure
Average Molecular Weight837.1571
SMILESCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5703.2427
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices