Showing RIpred-Card for 2-(alpha-hydroxyethyl)thiamine diphosphate,3TBDMS,isomer#1 (RI01708030)

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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 IDRI01708030
Compound Identification
Common Name2-(alpha-hydroxyethyl)thiamine diphosphate,3TBDMS,isomer#1
Structure
Average Molecular Weight808.3082
SMILESCC1=NC=C(C[N+]2=C(C(C)O[Si](C)(C)C(C)(C)C)SC(CCOP(=O)([O-])OP(=O)([O-])[O-])=C2C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4364.543
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices