Chemical Component Summary

NameLevoglucosan
Synonyms(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Identifiers(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
FormulaC6 H10 O5
Molecular Weight162.141
TypeNON-POLYMER
Isomeric SMILESC1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O
InChIInChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyTWNIBLMWSKIRAT-VFUOTHLCSA-N

Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count5
Bond Count22
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 2724705
ChEMBL CHEMBL3138649
ChEBI CHEBI:30997
CCDC/CSD AHGLPY13, ANALPR, AHGLPY01, AHGLPY11, AHGLPY10, AHGLPY12
COD 2100601, 2100602