4-Nitrophenyl-alpha-D-maltopentaoside

Base Information

• Chemical Name: 4-Nitrophenyl-alpha-D-maltopentaoside
• CAS No.: 66068-38-0
• Molecular Formula: C36H55 N O28
• Molecular Weight: 949.823
• Hs Code.: 29400090
• European Community (EC) Number: 636-249-2
• Nikkaji Number: J906.850C
• ChEMBL ID: CHEMBL1761814

Synonyms:4-nitrophenyl maltopentaoside;p-nitrophenyl alpha-maltopentaoside

Chemical Property of 4-Nitrophenyl-alpha-D-maltopentaoside

Chemical Property:

• Boiling Point: 1259.2±65.0 °C(Predicted)
• PKA: 12.43±0.70(Predicted)
• PSA: 461.80000
• Density: 1.81±0.1 g/cm3(Predicted)
• LogP: -9.40650
• Storage Temp.: 2-8°C
• XLogP3: -9
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 15
• Exact Mass: 949.29106010
• Heavy Atom Count: 65
• Complexity: 1480

Purity/Quality:

99%, ^*data from raw suppliers

4-Nitrophenyl a-D-maltopentaoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-24/25-22

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)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)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[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O
• Uses: 4-Nitrophenyl α-D-Maltopentaoside is used in α-amylase determination in human blood serum and urine.

Technology Process of 4-Nitrophenyl-alpha-D-maltopentaoside

There total 3 articles about 4-Nitrophenyl-alpha-D-maltopentaoside 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: 24.0%

Maltopentaose (1668-09-3,69415-94-7,69416-12-2,69429-17-0,69429-20-5) + 4-nitrophenyl-α-D-glucopyranoside (3767-28-0) → p‐nitrophenyl‐α‐D-maltopentoglycoside (66068-38-0)

Guidance literature:

In water; dimethyl sulfoxide; at 40 ℃; for 8h; Product distribution; phosphate buffer (pH 9.0); effect of Me2SO-conc., effect of pH, temp.; reaction with p-nitrophenyl β-D-glucopyranoside;

DOI:10.1016/0008-6215(91)84068-P

Reference yield:

C42H65NO33 (74173-30-1,140694-63-9) → p-nitrophenyl-α-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) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-nitrophenyl α-maltotrioside (66451-58-9) + 4-nitrophenyl α-maltotetraoside (66068-37-9) + p‐nitrophenyl‐α‐D-maltopentoglycoside (66068-38-0) + 4-nitrophenyl-α-D-glucopyranoside (3767-28-0)

Guidance literature:

In water; at 35 ℃; Rate constant; Product distribution; acetate buffer pH 5.5, barley alpha-amylase 1 or 2;

DOI:10.1016/0008-6215(92)85080-J

Reference yield:

β‐cyclodextrin (7585-39-9) + 4-nitrophenyl-β-D-glucoside (2492-87-7) → 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) + p-nitrophenyl-α-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) + p-nitrophenyl β-D-maltotrioside (56808-39-0) + 4-nitrophenyl α-maltotetraoside (66068-37-9) + p‐nitrophenyl‐α‐D-maltopentoglycoside (66068-38-0)

Guidance literature:

With cyclodextrin glycosyltransferase from Bacillus macerans; In aq. phosphate buffer; at 50 ℃; for 50h;

DOI:10.1016/j.carres.2014.11.010

upstream raw materials:

C₄₂H₆₅NO₃₃

Maltopentaose

4-nitrophenyl-α-D-glucopyranoside

β‐cyclodextrin

Downstream raw materials:

C₄₃H₅₉NO₂₈

C₆₈H₈₇NO₄₄

p-nitrophenolate

p-nitrophenyl-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranoside

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