N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1-hydroxy-6-oxohexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Base Information

• Chemical Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1-hydroxy-6-oxohexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• CAS No.: 2706-65-2
• Molecular Formula: C32H54 N4 O21
• Molecular Weight: 830.795
• Hs Code.: 29400090
• Mol file: 2706-65-2.mol

Synonyms:N,N',N'',N'''-tetraacetylchitintetraose;tetra-N-acetylchitotetraose

Chemical Property of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1-hydroxy-6-oxohexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Chemical Property:

• Melting Point: >200°C dec.
• Boiling Point: 1338.1°Cat760mmHg
• Flash Point: 763.1°C
• PSA: 391.15000
• Density: 1.57g/cm³
• LogP: -7.76740
• Storage Temp.: −20°C
• Solubility.: Water (Slightly)
• XLogP3: -8.2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 18
• Exact Mass: 830.32805474
• Heavy Atom Count: 57
• Complexity: 1350

Purity/Quality:

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

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

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OC(CO)C(C(C(C=O)NC(=O)C)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)CO)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H](C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)CO)O)O
• Uses: Prepared by acetolysis of chitin. Studies have shown this compound to have anti tumor effects Prepared by acetolysis of chitin. Studies have shown this compound to have anti tumor effects.

Technology Process of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1-hydroxy-6-oxohexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

There total 5 articles about N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1-hydroxy-6-oxohexan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide 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:

tetra-N-acetylchitotetraose peracetate → tetra-N-acetyl-chitotetraose (2706-65-2)

Guidance literature:

tetra-N-acetylchitotetraose peracetate; With sodium methylate; In methanol; at 20 ℃; for 1h;

In methanol;

DOI:10.1080/14786410902941006

Reference yield:

→ tetra-N-acetyl-chitotetraose (2706-65-2)

Guidance literature:

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

Reference yield:

→ tetra-N-acetyl-chitotetraose (2706-65-2)

Guidance literature:

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

Refernces