Showing RIpred-Card for 3-Hydroxybutyryl-CoA (RI00062765)

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 IDRI00062765
Compound Identification
Common Name3-Hydroxybutyryl-CoA
Structure
Average Molecular Weight853.152
SMILESC[C@@H](O)CC(=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 Index4292.714
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices