P-Nitrophenyl beta-D-lactopyranoside

Base Information

• Chemical Name: P-Nitrophenyl beta-D-lactopyranoside
• CAS No.: 4419-94-7
• Molecular Formula: C18H25NO13
• Molecular Weight: 463.395
• Hs Code.: 29400090
• DSSTox Substance ID: DTXSID001310117
• Nikkaji Number: J407.609E
• Wikidata: Q27162436
• Mol file: 4419-94-7.mol

Synonyms:4419-94-7;P-NITROPHENYL BETA-D-LACTOPYRANOSIDE;4-Nitrophenyl beta-D-lactopyranoside;4-nitrophenyl beta-lactoside;P-NITROPHENYLBETA-D-LACTOPYRANOSIDE;4-Nitrophenyl 4-O-(b-D-galactopyranosyl)-b-D-glucopyranoside;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;p-Nitrophenyl-beta-D-lactoside;4-nitrophenyl beta-D-lactoside;4-Nitrophenyl b-D-lactopyranoside;(2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;SCHEMBL7958085;CHEBI:90260;DTXSID001310117;MFCD00069843;4-Nitrophenyl beta -D-lactopyranoside;AKOS030242106;s12130;p-NITROPHENYL-beta-D-LACTOPYRANOSIDE;beta-D-Gal-(1->4)-beta-D-Glc-O-pNP;beta-D-Galp-(1->4)-beta-D-Glcp-O-pNP;Q27162436;4-nitrophenyl beta-D-galactosyl-(1->4)-beta-D-glucoside;4-nitrophenyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside;4-nitrophenyl beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside;(2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Chemical Property of P-Nitrophenyl beta-D-lactopyranoside

Chemical Property:

• Melting Point: 259 oC (decomp)**
• Refractive Index: 1.671
• Boiling Point: 795.6±60.0 °C(Predicted)
• PKA: 12.43±0.70(Predicted)
• PSA: 224.35000
• Density: 1.70±0.1 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: -2.87910
• Storage Temp.: −20°C
• Solubility.: Water (Slightly, Heated)
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 463.13258985
• Heavy Atom Count: 32
• Complexity: 612

Purity/Quality:

98%, ^*data from raw suppliers

4-Nitrophenyl b-D-lactopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 61
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
• Uses: p-Nitrophenyl β-D-Lactopyranoside is a useful compound 4-Nitrophenyl β-D-lactopyranoside may be used as a substrate for determining β-lactosidase activity and for determining the substrate specificity for β-glucosidase from the yeast Debaryomyces hansenii. It has also been used as a substrate for cellobiohydrolase.

Technology Process of P-Nitrophenyl beta-D-lactopyranoside

There total 50 articles about P-Nitrophenyl beta-D-lactopyranoside 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: 100.0%

4-nitrophenyl-2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1→4)-2,3,6-tetra-O-acetyl-β-D-glucopyranoside (84034-75-3) → 4-nitrophenyl β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside (4419-94-7)

Guidance literature:

With sodium methylate; In methanol;

DOI:10.1039/c39910000536

Reference yield: 90.0%

C32H39NO20 → p-nitrophenyl-β-D-glucopyranosyl-(1→4)-O-α-D-glucopyranoside (3482-57-3,4419-94-7,7344-00-5,17400-77-0,56846-39-0,78248-67-6,80446-81-7)

Guidance literature:

With sodium methylate; In methanol; at 0 - 20 ℃; for 3h;

Reference yield: 84.0%

α-galactosyl fluoride (2021-84-3) + 4-nitrophenyl-β-D-glucoside (2492-87-7) → 4-nitrophenyl β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside (4419-94-7)

Guidance literature:

With AbgGlu₃₅₈Ala; ammonium bicarbonate buffer; for 8h; Ambient temperature;

DOI:10.1021/ja980833d

upstream raw materials:

4-nitrophenyl-2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1→4)-2,3,6-tetra-O-acetyl-β-D-glucopyranoside

4-nitrophenyl-β-D-glucoside

α-galactosyl fluoride

uridine-5'-diphosphogalactose

Downstream raw materials:

(4-amino-phenyl)-(O⁴-α-D-glucopyranosyl-β-D-glucopyranoside)

p-nitrophenyl 3',4'-O-isopropylidene-β-lactoside

p-Aminophenyl 4-O-(β-D-galactopyranosyl)-β-D-glucopyranoside

4-nitro-phenol