Showing RIpred-Card for Diadenosine tetraphosphate (RI00066652)

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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 IDRI00066652
Compound Identification
Common NameDiadenosine tetraphosphate
Structure
Average Molecular Weight836.0483
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3870.366
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices