3-Deoxyhexonic acid

Base Information

• Chemical Name: 3-Deoxyhexonic acid
• CAS No.: 498-43-1
• Molecular Formula: C6H12O6
• Molecular Weight: 180.158
• European Community (EC) Number: 216-176-9
• DSSTox Substance ID: DTXSID50865500
• Mol file: 498-43-1.mol

Synonyms:3-Deoxyhexonic acid;D-Arabino-3-deoxyhexonic acid;3-Deoxy-D-gluconic acid;D-arabino-Hexonic acid, 3-deoxy-;EINECS 216-176-9;1518-59-8;3-Deoxy-d-mannonic acid;EINECS 207-862-9;ALPHA-GALACTOMETASACCHARINIC ACID;3-Deoxyhexonic acid #;NCIOpen2_000444;SCHEMBL8573155;DTXSID50865500;CHEBI:144049;YGMNHEPVTNXLLS-UHFFFAOYSA-N;PD041569;87420-95-9

Chemical Property of 3-Deoxyhexonic acid

Chemical Property:

• Boiling Point: 583.8°Cat760mmHg
• Flash Point: 320.9°C
• PSA: 118.22000
• Density: 1.589g/cm³
• LogP: -2.46390
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 180.06338810
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(CO)O)O)C(C(=O)O)O

Technology Process of 3-Deoxyhexonic acid

There total 14 articles about 3-Deoxyhexonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

nigerose (2495-70-7) → D-arabino-3-deoxy-hexonic acid (1518-59-8) + 3-deoxy-D-ribo-hexonic acid (498-43-1) + 3-deoxy-arabino-hexonic acid + 3-deoxy-ribo-hexonic acid

Guidance literature:

In aq. phosphate buffer; at 90 ℃; for 12h; pH=7.5;

DOI:10.1016/j.carres.2020.108129

Reference yield:

α-D-glucopyranosyl-(1→3)-α-D-fructopyranose (5349-40-6) → D-arabino-3-deoxy-hexonic acid (1518-59-8) + 3-deoxy-D-ribo-hexonic acid (498-43-1) + 3-deoxy-arabino-hexonic acid + 3-deoxy-ribo-hexonic acid

Guidance literature:

In aq. phosphate buffer; at 90 ℃; for 12h; pH=7.5;

DOI:10.1016/j.carres.2020.108129

Reference yield:

D-glucose (50-99-7) → 3-deoxy-D-ribo-hexonic acid (498-43-1)

Guidance literature:

With sodium hydroxide; at 100 ℃;

upstream raw materials:

D-glucose

3-O-methyl-D-glucose

sodium methylate

3,6-anhydro-D-glucose

Downstream raw materials:

3-deoxy-D-ribo-hexono-1,4-lactone

Refernces

• 1、 Bruijn, J. M. de,Kieboom, A. P. G.,Bekkum, H. van. "Alkaline degradation of monosaccharides III. Influence of reaction parameters upon the final product composition". . p. 176 - 183. Retrieved 2007/10/02.