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CHEBI:25877 - pentaerythritol dinitrate

ChEBI IDCHEBI:25877
ChEBI Namepentaerythritol dinitrate
Stars
DefinitionA pentaerythritol nitrate in which two of the hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester.
Last Modified27 May 2024
DownloadsMolfile
FormulaC5H10N2O8
Net Charge0
Average Mass226.141
Monoisotopic Mass226.04372
SMILESO=[N+]([O-])OCC(CO)(CO)CO[N+](=O)[O-]
InChIInChI=1S/C5H10N2O8/c8-1-5(2-9,3-14-6(10)11)4-15-7(12)13/h8-9H,1-4H2
InChIKeyLHSHCLPXMPQXCS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pentaerythritol dinitrate (CHEBI:25877) is a diol (CHEBI:23824)
pentaerythritol dinitrate (CHEBI:25877) is a pentaerythritol nitrate (CHEBI:25878)
pentaerythritol dinitrate (CHEBI:25877) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2,2-bis(hydroxymethyl)propane-1,3-diyl dinitrate
Synonym  Source
pentaerythritol dinitrateChEBI
UniProt Name  Source
pentaerythritol dinitrateUniProt
Manual XrefsDatabases
c0053UM-BBD
HMDB0256251HMDB
DE102008050597Patent
Registry NumbersSources
CAS:1607-01-8ChEBI
Citations