(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

Base Information

Chemical Name:(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CAS No.:16533-48-5
Molecular Formula:C₆H₁₀O₇
Molecular Weight:194.141
Hs Code.:
DSSTox Substance ID:DTXSID901313625
Nikkaji Number:J396.560K
Wikidata:Q63395365
Mol file:16533-48-5.mol

Synonyms:16533-48-5;21675-47-8;xylo-2-Hexulosonic acid;(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid;d-sorbosonic acid;rel-(3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid;Gulonic acid, 2-oxo-;2-Keto-L-idonic acid;2-Keto-D-gulonic acid;D-Xylo-hexulosonic Acid;SCHEMBL5803285;DTXSID901313625;WURCS=2.0/1,1,0/[AO212h]/1/;J-010199;Q63395365;AD9F87F8-6B21-4645-830E-44DED44E8741

Suppliers and Price of (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic 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

Medical Isotopes, Inc.
D-Xylo-hexulosonicAcid
250 g
$ 775.00

Medical Isotopes, Inc.
D-Xylo-hexulosonicAcid
100 g
$ 650.00

Total 9 raw suppliers

Chemical Property of (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

Chemical Property:

Vapor Pressure:2.04E-14mmHg at 25°C
Boiling Point:550.6°Cat760mmHg
PKA:2.10±0.54(Predicted)
Flash Point:300.9°C
PSA：0.00000
Density:g/cm³
LogP:0.00000
XLogP3:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:194.04265265
Heavy Atom Count:13
Complexity:201

Purity/Quality:

99% ^*data from raw suppliers

D-Xylo-hexulosonicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C(C(C(C(C(=O)C(=O)O)O)O)O)O
Isomeric SMILES:C([C@H]([C@@H]([C@H](C(=O)C(=O)O)O)O)O)O
Uses Xylo-hexulosonic Acid is the precursor to Vitamin C (A786990),a physiological antioxidant, an essential nutrients and a cofactor in various enzyme catalyzed reactions.

Technology Process of (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

There total 71 articles about (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic 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: 55.0%

: 453-17-8,367-47-5,26793-98-6
D-Glyceraldehyde

: 1113-60-6
3-hydroxy-2-oxopropionic acid

: 669-90-9,16533-48-5,29123-55-5,20248-27-5
fructonic acid

Guidance literature:: With recombinant aldolase B₂T₁L₆ from Burkholderia phytofirmans; manganese(ll) chloride; In aq. buffer; for 20h; pH=8; Reagent/catalyst; stereoselective reaction; Catalytic behavior; Green chemistry; Enzymatic reaction;
DOI:10.1039/c6gc02652d

Reference yield:

: 59-23-4
D-Galactose

: 133-42-6,488-33-5,526-95-4,526-97-6,576-36-3,642-99-9,1114-17-6,3956-93-2,6906-37-2,7760-07-8,13382-27-9,20246-33-7,20246-35-9,20246-52-0,20246-53-1,21675-42-3,22430-69-9,24871-35-0,28223-42-9,28278-17-3,51547-37-6
D-galactonic acid

: 16722-49-9,16533-48-5,29123-55-5,20248-27-5
D-lyxo-2-hexulosonic acid

Guidance literature:: With aerobacter aerogenes; Aerobe Oxidation_.;

Reference yield:

: 59-23-4
D-Galactose

: 133-42-6,488-33-5,526-95-4,526-97-6,576-36-3,642-99-9,1114-17-6,3956-93-2,6906-37-2,7760-07-8,13382-27-9,20246-33-7,20246-35-9,20246-52-0,20246-53-1,21675-42-3,22430-69-9,24871-35-0,28223-42-9,28278-17-3,51547-37-6
D-galactonic acid

: 16722-49-9,16533-48-5,29123-55-5,20248-27-5
D-lyxo-2-hexulosonic acid

: 144-62-7,97993-78-7
oxalic acid

: 87-69-4,138508-61-9
tartaric acid

Guidance literature:: With ammonium vanadate; In sulfuric acid; at 90 ℃; for 3h; Kinetics; Mechanism; Equilibrium constant; activation energy; product yield distribution; different concentrations of H₂SO₄;