EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177024 - (2R,5R)-hexanediol

ChEBI IDCHEBI:177024
ChEBI Name(2R,5R)-hexanediol
Stars
ASCII Name(2R,5R)-hexanediol
DefinitionA hexane-2,5-diol with R-configuration at both the C-2 and C-5 centres.
Last Modified17 September 2024
SubmitterElisabeth Coudert
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-/m1/s1
InChIKeyOHMBHFSEKCCCBW-PHDIDXHHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,5R)-hexanediol (CHEBI:177024) is a hexane-2,5-diol (CHEBI:84894)
(2R,5R)-hexanediol (CHEBI:177024) is enantiomer of (2S,5S)-hexanediol (CHEBI:231969)
Incoming Relation(s)
(2S,5S)-hexanediol (CHEBI:231969) is enantiomer of (2R,5R)-hexanediol (CHEBI:177024)
IUPAC Name 
(2R,5R)-hexane-2,5-diol
Synonyms  Source
(2R,5R)-2,5-hexanediolChEBI
(2R,5R)-2,5-dihydroxyhexaneChEBI
UniProt Name  Source
(2R,5R)-hexanediolUniProt
Manual XrefsDatabases
HX2PDBeChem
2015159ChemSpider
Registry NumbersSources
Reaxys:1719251Reaxys
CAS:17299-07-9ChEBI
Citations