Showing RIpred-Card for Presqualene diphosphate,3TMS,isomer#1 (RI00071233)

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 IDRI00071233
Compound Identification
Common NamePresqualene diphosphate,3TMS,isomer#1
Structure
Average Molecular Weight802.4374
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H]1[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@]1(C)CC/C=C(\C)CCC=C(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3845.1284
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices