5-HYDROXYMETHYLFURFURAL
5-(hydroxymethyl)furan-2-carbaldehyde
Molecular Identity
5-HYDROXYMETHYLFURFURAL
5-(hydroxymethyl)furan-2-carbaldehyde
PubChem CID: 237332
5-hydroxymethylfurfural is a member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. It has a role as an indicator and a Maillard reaction product. It is a primary alcohol, a member of furans and an arenecarbaldehyde.
2D Structure
Properties
C6H6O3
Molecular Formula
126.11
Molecular Weight
g/mol
126.0317
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
50.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
102
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
5-HYDROXYMETHYLFURFURAL67-47-05-Hydroxymethyl-2-furaldehyde5-(Hydroxymethyl)furfural5-(Hydroxymethyl)-2-furaldehyde5-OxymethylfurfuroleHydroxymethylfurfurole5-(Hydroxymethyl)-2-furancarbonal2-Furancarboxaldehyde, 5-(hydroxymethyl)-5-Hydroxymethylfuran-2-aldehydeHydroxymethylfurfuraldehyde5-Hydroxymethyl-2-formylfuranHydroxymethylfurfuralaldehyde2-Hydroxymethyl-5-furfural5-hydroxymethyl furfural
Data from PubChem (NCBI)
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