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CHEBI:231969 - (2S,5S)-hexanediol

ChEBI IDCHEBI:231969
ChEBI Name(2S,5S)-hexanediol
Stars
ASCII Name(2S,5S)-hexanediol
DefinitionA hexane-2,5-diol with S-configuration at both the C-2 and C-5 centres.
Last Modified17 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H14O2
Net Charge0
Average Mass118.176
Monoisotopic Mass118.09938
SMILESC[C@H](O)CC[C@H](C)O
InChIInChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyOHMBHFSEKCCCBW-WDSKDSINSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,5S)-hexanediol (CHEBI:231969) is a hexane-2,5-diol (CHEBI:84894)
(2S,5S)-hexanediol (CHEBI:231969) is enantiomer of (2R,5R)-hexanediol (CHEBI:177024)
Incoming Relation(s)
(2R,5R)-hexanediol (CHEBI:177024) is enantiomer of (2S,5S)-hexanediol (CHEBI:231969)
IUPAC Name 
(2S,5S)-hexane-2,5-diol
Synonyms  Source
(2S,5S)-2,5-dihydroxyhexaneChEBI
(2S,5S)-2,5-hexanediolChEBI
(2S,5S)-(+)-hexanediolChEBI
(S,S)-2,5-hexanediolChEBI
UniProt Name  Source
(2S,5S)-hexanediolUniProt
Manual XrefsDatabases
CPD-15522MetaCyc
DYDPDBeChem
Registry NumbersSources
CAS:34338-96-0ChEBI
Citations