N-Acetylchitohexaose

Base Information

• Chemical Name: N-Acetylchitohexaose
• CAS No.: 38854-46-5
• Molecular Formula: C₄₈H₈₀N₆O₃₁
• Molecular Weight: 1237.18
• Hs Code.: 29400090
• DSSTox Substance ID: DTXSID501315100
• Nikkaji Number: J506.164D
• Mol file: 38854-46-5.mol

Synonyms:hexa-N-acetylchitohexaose;HNACH;N-acetylchitohexaose;NACOS-6

Chemical Property of N-Acetylchitohexaose

Chemical Property:

• Melting Point: >250°C (dec.)
• Boiling Point: 1652.6°Cat760mmHg
• PKA: 12.72±0.70(Predicted)
• Flash Point: 953.3°C
• PSA: 559.35000
• Density: 1.6g/cm³
• LogP: -10.89220
• Storage Temp.: −20°C
• Solubility.: Water (Slightly), Methanol (Slightly)
• XLogP3: -13.6
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 26
• Exact Mass: 1236.4867998
• Heavy Atom Count: 85
• Complexity: 2220

Purity/Quality:

98%Min ^*data from raw suppliers

N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4O)NC(=O)C)OC5C(OC(C(C5O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)CO)CO)CO)CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)CO)O)O
• Uses: cation exchanger ~1.4 meq/g Studied for anti-tumor effects Various publications have cited the use of N,N',N'',N''',N'''',N'''''-Hexaacetylchitohexaose in mutagenesis studies due to its antitumor effects. Hexa-N-acetylchitohexaose is a hexamer of N-acetylglucosamine, a subunit of the natural polymer chitin. It functions as an elicitor in plants, inducing the expression of chitinases.Like chitin and some of its derivatives, hexa-N-acetylchitohexaose is a substrate of lysozyme.It also binds LysM domains on certain proteins, including an endopeptidase of T. thermophilus.Hexa-N-acetylchitohexaose heightens the immune response against Pseudomonas and Listeria in mice, stimulates cytokine secretion in mesenchymal stem cells, and inhibits nitric oxide production by activated macrophages.

Technology Process of N-Acetylchitohexaose

There total 4 articles about N-Acetylchitohexaose 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:

→ hexa-N-acetylchitohexaose (38854-46-5)

Guidance literature:

With hydrogenchloride; Behandeln einer Loesung des Reaktionsprodukts in Methanol mit Acetanhydrid in Gegenwart von Ionenaustauschern;

Reference yield:

→ hexa-N-acetylchitohexaose (38854-46-5)

Guidance literature:

With hydrogenchloride; Behandeln einer Loesung des Reaktionsprodukts in Methanol mit Acetanhydrid in Gegenwart von Ionenaustauschern;

Reference yield:

→ hexa-N-acetylchitohexaose (38854-46-5)

Guidance literature:

With hydrogenchloride; Behandeln einer Loesung des Reaktionsprodukts in Methanol mit Acetanhydrid in Gegenwart von Ionenaustauschern;