5-Hydroxymethylfurfural

CAT: 0127-BUP19343-02Size: 5 gDry Ice: NoHazardous: No

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CAS Number

67-47-0

Synonyms

2-Hydroxymethyl-5-furfural, 2-Formyl-5-hydroxymethylfuran, 5-Hydroxymethyl-2-furaldehyde, 5- (Hydroxymethyl) furan-2-carbaldehyde

Purity

=98%

Smiles

C(O)C=1OC(C=O)=CC1

Storage Conditions

Store at 2-8°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 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

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

CAS: 67-47-0

CID: 237332

Formula: C6H6O3

MW: 126.11

Interactive 3D Structure

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Computed Properties

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 Å²
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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Alternative Products

Catalog	Name
AB0397	5-Hydroxymethylfurfural
H14460	5-Hydroxymethylfurfural 97%
HY-Y0051S	5-Hydroxymethylfurfural-13C6
HY-Y0051R-01	5-Hydroxymethylfurfural (Standard)
E-IA-C060	5-Hydroxymethylfurfural Test Kit
299843	5-Hydroxymethylfurfural discontinued. See 278754
62953-01	5-Hydroxymethylfurfural (HMF) extrapure, 98%
77491-01	5-Hydroxymethylfurfural (HMF) ExiPlus, Multi-Compendial, 98%
PDA86661	5,5,5-Trifluoropentanonitrile
291452-01	5,5,5-Trifluoronorvaline

5-Hydroxymethylfurfural

Chemical Information

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