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5-hydroxymethyl-2-furaldehyde

CAT: 0607-N1335-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N1335-20Size:20 mg
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CAS Number
67-47-0
Product Name Alternative
5-(hydroxymethyl)furan-2-carbaldehyde
Sequence
5-HMF
Field of Research
Natural Products
Purity
0.9985
Solubility
≥46.9 mg/mL in DMSO; ≥50 mg/mL in EtOH; ≥51.5 mg/mL in H2O
Smiles
C1=C(OC(=C1)C=O)CO
Molecular Formula
C6H6O3
Molecular Weight
126.11
Shipping Conditions
Blue ice
Storage Conditions
Store at -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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Alternative Products

CatalogName
MBS3608975-015-Hydroxymethyl-2-furaldehyde
OR8853-015- (Hydroxymethyl) -2-furaldehyde
sc-217204C5-Hydroxymethyl-2-furaldehyde-13C6
H9110-13X5-Hydroxymethyl-2-furaldehyde (HMF)
WAA508195-Chloro-2-furaldehyde
FB07000-015-Bromo-2-furaldehyde
TRC-N495930-1G5-Nitro-2-furaldehyde
sc-317768A5- (Dimethylamino) -2-furaldehyde
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