Allaric acid

Base Information

• Chemical Name: Allaric acid
• CAS No.: 527-00-4
• Molecular Formula: C6H10O8
• Molecular Weight: 210.141
• DSSTox Substance ID: DTXSID301036302
• Wikidata: Q27109432
• Metabolomics Workbench ID: 53874
• Mol file: 527-00-4.mol

Synonyms:allaric acid;meso-allaric acid;alaric acid;(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;CHEBI:22285;DTXSID301036302;AKOS015892945;Q27109432;527-00-4

Chemical Property of Allaric acid

Chemical Property:

• PSA: 155.52000
• LogP: -3.40080
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 210.03756727
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Allaric acid

There total 29 articles about Allaric 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:

(2E,4E)-2,4-hexadienedioic acid (3588-17-8) → meso-galactaric acid (526-99-8,1213827-87-2,7231-46-1) + DL-idaric acid (87-73-0,526-99-8,527-00-4,608-60-6,5627-26-9,5666-23-9,5768-54-7,6543-97-1,7558-19-2,22076-54-6,25525-21-7,33012-63-4,57030-41-8,80876-58-0,117468-78-7,117468-79-8,7231-46-1)

Guidance literature:

With sodium chlorate; osmium(VIII) oxide; acetic acid;

Reference yield:

(2E,4E)-2,4-hexadienedioic acid (3588-17-8) + acetic acid (64-19-7,77671-22-8) → DL-tartaric acid (133-37-9,138508-61-9) + meso-galactaric acid (526-99-8,1213827-87-2,7231-46-1) + DL-idaric acid (87-73-0,526-99-8,527-00-4,608-60-6,5627-26-9,5666-23-9,5768-54-7,6543-97-1,7558-19-2,22076-54-6,25525-21-7,33012-63-4,57030-41-8,80876-58-0,117468-78-7,117468-79-8,7231-46-1) + oxalic acid (144-62-7,97993-78-7)

Guidance literature:

Reference yield:

D-myo-inositol (87-89-8) → allo-mucic acid (527-00-4,7231-46-1) + DL-glucaric acid (87-73-0,526-99-8,527-00-4,608-60-6,5627-26-9,5666-23-9,5768-54-7,6543-97-1,7558-19-2,22076-54-6,25525-21-7,33012-63-4,57030-41-8,80876-58-0,117468-78-7,117468-79-8,7231-46-1) + oxalic acid (144-62-7,97993-78-7)

Guidance literature:

upstream raw materials:

meso-galactaric acid

tetra-O-acetyl-allo-mucic acid

inositol

nitric acid

Downstream raw materials:

furan-2,5-dicarboxylic acid

D-galactonic acid

meso-galactaric acid

DL-allaric acid-1=>4-lactone