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5-Hydroxymethylfurfural

CAT: 0931-T2943-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T2943-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67-47-0
Target
Antifungal
Related Pathways
Microbiology/Virology
Purity
>99.99%
Bioactivity
5-Hydroxymethylfurfural (2-Formyl-5-hydroxymethylfuran) is found from various carbohydrates.
Smiles
C(O)C=1OC(C=O)=CC1
Molecular Formula
C6H6O3
Molecular Weight
126.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(Hydroxymethyl)furfural

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 Number67-47-0
PubChem CID237332
IUPAC Name5-(hydroxymethyl)furan-2-carbaldehyde
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP-0.6
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity102
SMILES
C1=C(OC(=C1)C=O)CO
InChI
InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChIKey
NOEGNKMFWQHSLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Hydroxymethyl)furfural
CAS: 67-47-0
CID: 237332
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area50.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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