5-Hydroxymethylfurfural (Standard)

Chemical Information
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.
| CAS Number | 67-47-0 |
| PubChem CID | 237332 |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| Molecular Formula | C6H6O3 |
| Molecular Weight | 126.11 |
| XLogP | -0.6 |
| Topological Polar Surface Area | 50.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 102 |
| Property | Value |
|---|---|
| Molecular Weight | 126.11 |
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 126.031694049 |
| Monoisotopic Mass | 126.031694049 |
| Topological Polar Surface Area | 50.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 102 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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