Chloroeremomycin

Base Information

• Chemical Name: Chloroeremomycin
• CAS No.: 118395-73-6
• Molecular Formula: C₇₃H₈₈Cl₂N₁₀O₂₆
• Molecular Weight: 1592.46
• UNII: X47SLZ2K7D
• Nikkaji Number: J410.822A
• Wikipedia: Chloroeremomycin
• ChEMBL ID: CHEMBL1688951
• Mol file: 118395-73-6.mol

Synonyms:8-82846A;A 82846B;A83846B;chloroorienticin A;LY 264826;LY-264826

Chemical Property of Chloroeremomycin

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 2.93±0.70(Predicted)
• Flash Point: °C
• PSA: 574.97000
• Density: 1.61g/cm³
• LogP: 4.87040
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 15
• Exact Mass: 1590.5248283
• Heavy Atom Count: 111
• Complexity: 3300

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC(=O)C(CC(C)C)NC)CC(=O)N)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)CO)O)O)(C)N)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)N[C@@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O)C(=O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)Cl)CO)O)O)(C)N)O

Technology Process of Chloroeremomycin

There total 1 articles about Chloroeremomycin 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:

chloroorienticin B (118373-81-2) + thymidine 5'-(3-amino-2,3,6-trideoxy-3C-methyl-β-L-arabino-hexopyranosyl diphosphate) (321847-76-1) → Chloroeremomycin (118395-73-6)

Guidance literature:

With glycosyltransferase GtfC; Enzyme kinetics;

DOI:10.1021/ja052945s

Reference yield: 38.0%

A82846B (118395-73-6) → A82846C (112848-47-2,123533-46-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water; for 96h; under 3040 Torr; Ambient temperature;

DOI:10.1021/jo00265a050

Reference yield: 27.0%

A82846B (118395-73-6) → Orienticin A (111073-20-2)

Guidance literature:

With hydrogen; Pd-BaSO₄; In water; for 2h; under 775.7 Torr; Ambient temperature;

DOI:10.1021/jo00265a050

upstream raw materials:

chloroorienticin B

thymidine 5'-(3-amino-2,3,6-trideoxy-3C-methyl-β-L-arabino-hexopyranosyl diphosphate)

Downstream raw materials:

A82846C

Orienticin A

Refernces