14048-58-9

Basic information

• Product Name: 2-METHYL-5-(1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID
• Synonyms: 2-Methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic acid
• CAS NO: 14048-58-9
• Molecular Formula: C10H14O7
• Molecular Weight: 246.21
• Mol File: 14048-58-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 584°Cat760mmHg
• Flash Point: 307°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 1.76E-14mmHg at 25°C
• PKA: 4.37±0.26(Predicted)
• CAS DataBase Reference: 2-METHYL-5-(1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-5-(1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID(14048-58-9)
• EPA Substance Registry System: 2-METHYL-5-(1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID(14048-58-9)

Safety Data

• Hazardous Substances Data: 14048-58-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14O7/c1-4-5(10(15)16)2-7(17-4)9(14)8(13)6(12)3-11/h2,6,8-9,11-14H,3H2,1H3,(H,15,16)/p-1/t6-,8+,9-/m1/s1

Upstream product

• 110392-87-5 benzyl 2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylate 
• 93253-62-4 2-methyl-5-(1',2',3',4'-tetra-O-acetyl-D-arabino-tetritol-1'-yl)-3-furoic acid 
• 59-23-4 D-Galactose 
• 47001-46-7 ethyl 2-methyl-5-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3-furoate 
• 50-99-7 D-glucose 
• 50-99-7 D-glucose 
• 81661-23-6 5-(D-arabino-tetroxybutyl)-2-methyl-3-nitrile-furan 
• 81661-22-5 5-(D-arabino-tetroxybutyl)-3-carbamoyl-2-methyl-furan 
• 17651-08-0 methyl 5-(D-arabino-tetroxybutyl)-2-methyl-3-furoate 
• 81703-84-6 1-{2-methyl-5-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-3-furyl}-1-ethanone 
• 3351-43-7 ethyl 2-methyl-5-(D-arabino-tetritol-1-yl)furan-3-carboxylate 

Downstream Products

• 1125-59-3 5-Formyl-2-methyl-furan-3-carbonsaeure 

Relevant articles and documents

Solution and solid phase synthesis of hetarylene-carbopeptoids. A new type of peptidomimetics

Ready access to a new class of peptidomimetics has been demonstrated by the synthesis of hetarylene-carbopeptoids using hydroxyalkylfuran-aminoacids 7 as novel scaffold.

Hetaryleneaminopolyols and hetarylenecarbopeptoids: A new type of glyco- and peptidomimetics. Syntheses and studies on solution conformation and dynamics

Ready access to a new class of oligomers has been demonstrated by the synthesis of hetaryleneaminopolyols and hetarylenecarbopeptoids using 3-hydroxymethyl-5-(4-amino-4-deoxy-D-arabinotetritol1-yl)-2-methylfuran and 5-(4-amino-4-deoxy-D-arabinotetritol-1-yl)-2-methyl-3-furoic acid as novel scaffolds. The conformational behavior of peptidomimetics 22, 23, 25, 26, and 36 have been analyzed by NMR spectroscopy and extensive molecular dynamics simulations. MD simulations using the GB/SA continuum solvent model for water and the MM3* force field provide a population distribution of conformers which satisfactorily agrees with the experimental NMR data for the torsional degrees of freedom of the molecule.