6-Phosphogluconic acid

Base Information

• Chemical Name: 6-Phosphogluconic acid
• CAS No.: 921-62-0
• Deprecated CAS: 2464-13-3
• Molecular Formula: C6H13O10P
• Molecular Weight: 276.137
• European Community (EC) Number: 213-069-9
• UNII: W31WK7B8U0
• DSSTox Substance ID: DTXSID00872623
• Nikkaji Number: J40.068H
• Wikipedia: 6-Phosphogluconic_acid
• Wikidata: Q245501
• Metabolomics Workbench ID: 37723
• ChEMBL ID: CHEMBL1230513
• Mol file: 921-62-0.mol

Synonyms:6-phospho-D-gluconic acid;6-phosphogluconate;6-phosphogluconic acid;gluconate 6-phosphate

Chemical Property of 6-Phosphogluconic acid

Chemical Property:

• Boiling Point: 774.8 °C at 760 mmHg
• PKA: 1.84±0.10(Predicted)
• Flash Point: 422.4 °C
• PSA: 406.56000
• Density: 1.983 g/cm³
• LogP: -7.66880
• Storage Temp.: 2-8°C
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 276.02463360
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

6-Phosphogluconic acid barium salt hydrate Grade VI, ≥90%, powder ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 28

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Monosaccharides and Derivatives
• Canonical SMILES: C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
• Uses: 6-Phosphogluconic acid has been used in a study to assess the biochemistry of Coxiella burnetti. It has also been used in a study to investigate the enzymatic transfer of hydrogen.

Technology Process of 6-Phosphogluconic acid

There total 9 articles about 6-Phosphogluconic 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:

α-D-glucose 6-phosphate (299-31-0,15209-11-7,15209-12-8,33163-99-4,40436-57-5,40436-58-6,40436-60-0,40436-61-1) → 6-phosphogluconic acid (921-62-0)

Guidance literature:

Multi-step reaction with 2 steps

1: glucose-6-phosphate-1-dehydrogenase / Enzymatic reaction

2: water

With glucose-6-phosphate-1-dehydrogenase; water;

DOI:10.1074/jbc.M110.148387

Reference yield:

D-glucose 6-phosphate (56-73-5,3672-15-9,6665-00-5,82259-50-5,89396-13-4,92418-43-4,136376-93-7,136376-97-1,136377-00-9,136377-02-1,136377-04-3,136377-07-6,136377-08-7,136377-11-2,136377-13-4,136377-14-5,136457-25-5) → 6-phosphogluconic acid (921-62-0)

Guidance literature:

With bromine; barium carbonate;

Reference yield:

glucose-6-phosphate (299-31-0,15209-11-7,15209-12-8,33163-99-4,40436-57-5,40436-58-6,40436-60-0,40436-61-1) → 6-phosphogluconic acid (921-62-0)

Guidance literature:

With potassium permanganate; sodium fluoride; In perchloric acid; at 35 ℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

upstream raw materials:

D-glucose 6-phosphate

glucose-6-phosphate

β-D-glucose 6-phosphate

D-Fructose

Downstream raw materials:

D-ribose 5-phosphate

Ribulose-5-phosphate

gluconic acid