2-Keto-3-deoxygluconate

Base Information

• Chemical Name: 2-Keto-3-deoxygluconate
• CAS No.: 17510-99-5
• Molecular Formula: C6H10O6
• Molecular Weight: 178.142
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10938623
• Nikkaji Number: J471.345A
• Wikidata: Q27102179
• Metabolomics Workbench ID: 50740
• Mol file: 17510-99-5.mol

Synonyms:2-keto-3-deoxygluconate;3-deoxy-2-oxo-D-gluconate

Chemical Property of 2-Keto-3-deoxygluconate

Chemical Property:

• Vapor Pressure: 1.05E-10mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 467.5 °C at 760 mmHg
• Flash Point: 250.6 °C
• PSA: 115.06000
• Density: 1.582 g/cm³
• LogP: -2.25570
• Storage Temp.: ?20°C
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 178.04773803
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

2-Keto-3-deoxy-D-gluconic acid lithium salt ≥95% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(CO)O)O)C(=O)C(=O)O
• Isomeric SMILES: C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O

Technology Process of 2-Keto-3-deoxygluconate

There total 14 articles about 2-Keto-3-deoxygluconate 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:

4-deoxy-L-erythro-5-hexoseulose uronic acid (91547-65-8) → 4,5,6-trihydroxy-2-oxohexanoic acid (17510-99-5)

Guidance literature:

With Saccharophagus degradans 2-40^T 4-deoxy-L-erythro-5-hexoseulose uronate reductase; NADH; In aq. buffer; at 30 ℃; for 0.666667h; pH=7; Reagent/catalyst; Enzymatic reaction;

DOI:10.1016/j.procbio.2016.07.020

Reference yield:

sodium D-gluconate (527-07-1) → 4,5,6-trihydroxy-2-oxohexanoic acid (17510-99-5)

Guidance literature:

With gluconate dehydratase; In aq. phosphate buffer; at 35 ℃; for 8h; pH=7.5; Enzymatic reaction;

Reference yield:

(d,l) isopropylidene glyceraldehyde (5736-03-8) → 4,5,6-trihydroxy-2-oxohexanoic acid (17510-99-5) + 3-deoxy-L-threo-2-hexulosonic acid

Guidance literature:

With Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase; at 50 ℃; for 3h; pH=7; Title compound not separated from byproducts;

DOI:10.1039/b413255f

upstream raw materials:

Oxalacetic acid

D-Glyceraldehyde

sodium pyruvate

(d,l) isopropylidene glyceraldehyde

Downstream raw materials:

2-Deoxy-D-ribose

3-deoxy-D-mannonic acid

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

calcium 3-deoxy-D-arabino-hexonate