p-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside

Base Information

• Chemical Name: p-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
• CAS No.: 23646-68-6
• Molecular Formula: C14H18N2O8
• Molecular Weight: 342.306
• European Community (EC) Number: 245-802-3
• DSSTox Substance ID: DTXSID901188274
• Nikkaji Number: J242.639K
• Wikidata: Q27127186
• Metabolomics Workbench ID: 61056
• Mol file: 23646-68-6.mol

Synonyms:4-nitrophenyl N-acetyl-beta-D-glucosaminide;4-nitrophenyl N-acetylglucosamine;4-nitrophenyl-2-acetamido-2-deoxy-beta-D-glucopyranoside;4-nitrophenyl-N-acetyl-2-deoxyglucopyranoside;4-nitrophenyl-N-acetyl-2-deoxyglucopyranoside, (alpha)-isomer;4-nitrophenyl-N-acetyl-beta-D-glucopyranoside;4-nitrophenyl-N-acetylglucosamine;NP-GlcNAc;p-nitrophenyl-N-acetyl-beta-D-glucopyranoside;para-nitrophenyl-N-acetyl-beta-D-glucopyranoside;PNP-GlcNAc;pNPGlcNAc

Chemical Property of p-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 2.91E-20mmHg at 25°C
• Melting Point: 229-231°C (dec.)
• Refractive Index: 1.619
• Boiling Point: 694.7 °C at 760 mmHg
• PKA: 12.76±0.70(Predicted)
• Flash Point: 374 °C
• PSA: 154.07000
• Density: 1.51 g/cm³
• LogP: -0.16860
• Storage Temp.: −20°C
• Solubility.: DMF: 25 mg/mL, clear, faintly yellow
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 342.10631554
• Heavy Atom Count: 24
• Complexity: 449

Purity/Quality:

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

p-Nitrophenyl 2-Acetamido-2-deoxy-a-D-galactopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O
• Description: N-acetyl-D-galactosaminidase catalyzes the cleavage of N-acetylglucosamine (GlcNAc), the monomeric unit of the polymer chitin. 4-Nitrophenyl-N-acetyl-α-D-galactosaminide can be used as a chromogenic substrate for N-acetyl-D-galactosaminidase, generating a yellow solution upon cleavage.
• Uses: p-Nitrophenyl 2-Acetamido-2-deoxy-α-D-galactopyranoside (cas# 23646-68-6) is a compound useful in organic synthesis.

Technology Process of p-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside

There total 1 articles about p-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside 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:

→ 4-nitrophenyl 2-acetamido-2-deoxy-α-D-galactopyranoside (23646-68-6,50645-66-4)

Guidance literature:

DOI:10.1016/S0008-6215(00)84114-2

Reference yield: 78.7%

4-nitrophenyl 2-acetamido-2-deoxy-α-D-galactopyranoside (23646-68-6,50645-66-4) + o-nitrophenyl D-galactopyranoside (2816-24-2,18249-33-7,19710-96-4,19887-85-5,56193-44-3,81132-76-5,118014-27-0,118396-84-2,369-07-3) → β-Gal-(1->6)-α-GalNAc-OC6H4NO2-p

Guidance literature:

With β-D-galactosidase from porcine liver; sodium acetate; In water; at 40 ℃; for 8.5h; pH=5.5;

DOI:10.1016/S0008-6215(99)00303-1

Reference yield: 75.9%

4-nitrophenyl 2-acetamido-2-deoxy-α-D-galactopyranoside (23646-68-6,50645-66-4) + o-nitrophenyl D-galactopyranoside (2816-24-2,18249-33-7,19710-96-4,19887-85-5,56193-44-3,81132-76-5,118014-27-0,118396-84-2,369-07-3) → p-nitrophenyl β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranoside (59837-14-8,1144040-14-1) + β-Gal-(1->6)-α-GalNAc-OC6H4NO2-p

Guidance literature:

With β-D-galactosidase from B. circulans ATCC 31382; sodium acetate; In water; at 50 ℃; for 3.5h; pH=5.5;

DOI:10.1016/S0008-6215(99)00303-1

Downstream raw materials:

p-nitrophenyl β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranoside

4-nitro-phenol

methyl α-D-N-acetylgalactosamine

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