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5-Hydroxymethylfurfural-13C6

CAT: 0804-HY-Y0051SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0051SSize:1 mg
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Description
5-Hydroxymethylfurfural-13C6 (2-Hydroxymethyl-5-furfural-13C6; 2-Formyl-5-hydroxymethylfuran-13C6) is a 13C labeled 5-Hydroxymethylfurfural. 5-Hydroxymethylfurfural (2-Hydroxymethyl-5-furfural), derived from Cornus officinalis, inhibits yeast growth and fermentation as stressors.
CAS Number
1219193-98-2
Product Name Alternative
2-Hydroxymethyl-5-furfural-13C6; 2-Formyl-5-hydroxymethylfuran-13C6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Fungal; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-hydroxymethylfurfural-13c6.html
Purity
99.78
Solubility
DMSO : 50 mg/mL (ultrasonic; warming)
Smiles
O[13CH2][13C]1=[13CH][13CH]=[13C]([13CH]=O)O1
Molecular Formula
13C6H6O3
Molecular Weight
132.07
Precautions
H302, H315, H319, H335
References & Citations
[1]Iwaki A, et al. Biomass conversion inhibitors furfural and 5-hydroxymethylfurfural induce formation of messenger RNP granules and attenuate translation activity in Saccharomyces cerevisiae. Appl Environ Microbiol. 2013 Mar;79 (5) :1661-7.|[2]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-246.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

5-Hydroxymethyl-2-furaldehyde-13C6
CAS Number1219193-98-2
PubChem CID46781825
IUPAC Name5-(hydroxy(113C)methyl)(2,3,4,5-13C4)furan-2-carbaldehyde
Molecular FormulaC6H6O3
Molecular Weight132.066
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
[13CH]1=[13C](O[13C](=[13CH]1)[13CH]=O)[13CH2]O
InChI
InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
NOEGNKMFWQHSLB-IDEBNGHGSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxymethyl-2-furaldehyde-13C6
CAS: 1219193-98-2
CID: 46781825
Formula: C6H6O3
MW: 132.066
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.066
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass132.05182306
Monoisotopic Mass132.05182306
Topological Polar Surface Area50.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity102
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes