N-Acetylgalactosaminitol

Base Information

• Chemical Name: N-Acetylgalactosaminitol
• CAS No.: 10486-91-6
• Molecular Formula: C8H17 N O6
• Molecular Weight: 223.226
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID20146792
• Nikkaji Number: J740.214G
• Wikidata: Q27124067
• Metabolomics Workbench ID: 58629
• Mol file: 10486-91-6.mol

Synonyms:N-acetylgalactosaminitol

Chemical Property of N-Acetylgalactosaminitol

Chemical Property:

• Vapor Pressure: 5.08E-20mmHg at 25°C
• Boiling Point: 656.5°C at 760 mmHg
• Flash Point: 350.8°C
• PSA: 133.74000
• Density: 1.434g/cm³
• LogP: -2.60130
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 223.10558726
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-ACETAMIDO-2-DEOXY-D-GALACTITOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CO)C(C(C(CO)O)O)O
• Isomeric SMILES: CC(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](CO)O)O)O

Technology Process of N-Acetylgalactosaminitol

There total 16 articles about N-Acetylgalactosaminitol 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: 78.0%

D-(+)-galactosamine hydrochloride (1772-03-8,4710-95-6,6730-09-2,14131-59-0,14131-62-5,14131-63-6,14131-65-8,14131-67-0,14257-79-5,19124-46-0,20706-90-5,91673-92-6) → 2-acetamido-2-deoxy-D-galacticol (10486-91-6)

Guidance literature:

by method of Kuhn;

Reference yield: 72.0%

2-Acetamido-2-desoxy-D-galactono-1,4-lacton (5469-77-2,28876-37-1,28876-38-2) → 2-acetamido-2-deoxy-D-galacticol (10486-91-6)

Guidance literature:

With sodium tetrahydroborate; (per)acetylperoxyboric acid; for 1h;

DOI:10.1016/0008-6215(94)90007-8

Reference yield:

α-L-Fuc-(1-3)-β-D-GalNAc-(1-3)-β-D-Gal-(1-4)-β-D-Gal-(1-3)-D-GalNAc-ol (84012-04-4,117751-58-3) → D-Galactose (10257-28-0) + L-Fucose (2438-80-4,478518-52-4) + 2-acetamido-2-deoxy-D-galacticol (10486-91-6) + N-acetylgalactosamine (134-61-2,3615-17-6,4773-29-9,6813-82-7,7436-28-4,7512-17-6,20770-61-0,20880-43-7,20880-45-9,23583-38-2,23655-50-7,31022-50-1,50985-77-8,134451-94-8,149054-75-1,1811-31-0,282727-46-2,478518-83-1,127959-06-2,78393-48-3)

Guidance literature:

With sodium tetrahydroborate; hydrazine; sodium nitrite; Product distribution; with or without hydrazinium sulfate: investigation of the hydrazinolysis-nitrous-deamination procedure; steric influence of the 3-O-substitution; mechanism is proposed;

DOI:10.1016/S0008-6215(00)90787-0

upstream raw materials:

N-acetyl-beta-D-galactosamine

N-acetylgalactosamine

N-acetyl-D-galactosamine

2-Acetamido-2-desoxy-D-galactono-1,4-lacton

Downstream raw materials:

2-acetamido-2-deoxy-D-galacitol pentaacetate

2-acetamido-3,4,5,6-tetra-O-acetyl-2-deoxy-D-galactose N,N'-diphenylformazan

2-acetamido-2-deoxy-D-galactose N,N'-diphenylformazan

2-acetamido-2-deoxy-D-galactose phenylhydrazone