Teicoplanin aglycone

Base Information

• Chemical Name: Teicoplanin aglycone
• CAS No.: 89139-42-4
• Molecular Formula: C58H45 Cl2 N7 O18
• Molecular Weight: 1198.94
• UNII: 3E6IB3P0LT
• ChEMBL ID: CHEMBL2348244
• DSSTox Substance ID: DTXSID701315463
• Pharos Ligand ID: L8SCLQT9K93Q
• Mol file: 89139-42-4.mol

Synonyms:teicoplanin aglycone

Chemical Property of Teicoplanin aglycone

Chemical Property:

• PSA: 407.22000
• LogP: 7.65790
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 1
• Exact Mass: 1197.2198130
• Heavy Atom Count: 85
• Complexity: 2490

Purity/Quality:

99%, ^*data from raw suppliers

TEICOPLANIN AGLYCONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(=O)NC(C3=CC(=CC(=C3)OC4=C(C=CC(=C4)C(C(=O)N2)N)O)O)C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl
• Isomeric SMILES: C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC4=C(C=CC(=C4)[C@H](C(=O)N2)N)O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)[C@H](C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl

Technology Process of Teicoplanin aglycone

There total 8 articles about Teicoplanin aglycone 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: 50.0%

C66H56Cl2F3N7O19 → tiecoplanin aglycon (89139-42-4)

Guidance literature:

C₆₆H₅₆Cl₂F₃N₇O₁₉; With aluminum tri-bromide; 1,1-dibromomethane; at 0 ℃;

With ethanethiol; at 20 ℃; Further stages.;

DOI:10.1021/ja011943e

Reference yield: 48.0%

C75H79Cl2N7O20Si → tiecoplanin aglycon (89139-42-4)

Guidance literature:

With aluminum tri-bromide; ethanethiol; at 35 ℃; for 3h;

DOI:10.1021/ja001663j

Reference yield: 48.0%

C75H79Cl2N7O20Si → tiecoplanin aglycon (89139-42-4)

Guidance literature:

With aluminum tri-bromide; ethanethiol; at 25 ℃; for 3h;

DOI:10.1021/ja003835i

upstream raw materials:

C₆₆H₅₈Cl₂N₈O₂₃

Downstream raw materials:

C₆₃H₅₃Cl₂N₇O₂₀

C₆₉H₆₂Cl₂N₈O₁₈

C₆₄H₅₆Cl₂N₈O₂₂

C₅₈H₄₄Cl₂N₆O₁₈