3-Deoxyhexonic acid

Base Information

• Chemical Name: 3-Deoxyhexonic acid
• CAS No.: 87420-95-9
• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.158
• European Community (EC) Number: 216-176-9
• DSSTox Substance ID: DTXSID50865500
• Mol file: 87420-95-9.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:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Deoxyhexonic acid

There total 2 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:

D-Glucose (2280-44-6) → glycolic Acid (79-14-1) + LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + erythrosone (496-56-0) + 3-deoxyglucosone (82399-12-0) + glyceric acid (473-81-4,118916-26-0) + 2,4-dihydroxybutanoic acid (1518-62-3) + 2,4,5-trihydroxypentanoic acid (50480-12-1,29625-78-3) + xylo-3-deoxy-hexonic acid (87420-95-9) + Glyoxal (131543-46-9,107-22-2) + 3-hydroxy-2-oxo-propionaldehyde (997-10-4) + 4-hydroxy-2-oxobutanal (28119-61-1) + 2,3,4-Trihydroxybutanoic acid (10191-35-2) + 3-deoxypentos-2-ulose + 2-oxopropanal (78-98-8)

Guidance literature:

With water; oxygen; calcium chloride; magnesium chloride; L-histidine; at 121 ℃; for 1h; Product distribution / selectivity;

Reference yield:

O-(3-deoxy-L-erythro-hexulofuranosylic acid)-(2-3)-O-ribosyl-(1-1)-ethane-1,2-diol (102731-63-5) → 3-deoxy-L-gluconic acid (781574-11-6) + 3-deoxy-L-mannonic acid (498-43-1,1518-59-8,1518-64-5,18521-63-6,29625-79-4,30923-12-7,51819-93-3,51819-95-5,52248-20-1,87420-95-9,99295-71-3)

Guidance literature:

Product distribution; multistep reaction, determination of structure;

DOI:10.1016/0008-6215(85)85028-X

upstream raw materials:

D-Glucose

O-(3-deoxy-L-erythro-hexulofuranosylic acid)-(2-3)-O-ribosyl-(1-1)-ethane-1,2-diol