(5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid

Base Information

Chemical Name:(5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
CAS No.:3445-22-5
Molecular Formula:C6H8O7
Molecular Weight:192.125
Hs Code.:2918990090
Metabolomics Workbench ID:38916
Mol file:3445-22-5.mol

Synonyms:2,3 Diketogulonic Acid;2,3-Diketogulonic Acid;Acid, 2,3-Diketogulonic

Suppliers and Price of (5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 14 raw suppliers

Chemical Property of (5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid

Chemical Property:

Vapor Pressure:6.99E-16mmHg at 25°C
Boiling Point:580.3°C at 760 mmHg
PKA:1.22±0.54(Predicted)
Flash Point:318.8°C
PSA：138.21000
Density:1.751g/cm³
LogP:-2.89870
XLogP3:-1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:192.02700259
Heavy Atom Count:13
Complexity:233

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid

There total 3 articles about (5S)-4,5,6-trihydroxy-2,3-dioxohexanoic 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:

: 50-81-7,98966-42-8
ascorbic acid

: 3445-22-5
(4R,5S)-4,5,6-Trihydroxy-2,3-dioxo-hexanoic acid

: 3445-23-6
L-xylosone

: 490-83-5
L-dehydroascorbic acid

Guidance literature:: With copper(ll) sulfate pentahydrate; oxygen; benzoic acid; In aq. phosphate buffer; at 25 ℃; for 2.5h; pH=7; pH-value;
DOI:10.1039/c6ra02843h

Reference yield:

: 50-81-7,98966-42-8
ascorbic acid

: 3445-22-5
(4R,5S)-4,5,6-Trihydroxy-2,3-dioxo-hexanoic acid

: threo-hexa-2,4-dienoic acid lactone

: 490-83-5
L-dehydroascorbic acid

Guidance literature:: With dihydrogen peroxide; copper(II) sulfate; In water; Product distribution; degradation of ascorbic acid in H₂O₂ and cupric ion solutions, oxidation with different oxygen sources, possible oxidation products, effect of cupric ion, GC/MS study;
DOI:10.1021/ac00075a006