Aoaohc

Base Information

• Chemical Name: Aoaohc
• CAS No.: 124620-50-4
• Molecular Formula: C37H52 Cl N9 O14
• Molecular Weight: 882.325
• Mol file: 124620-50-4.mol

Synonyms:7-((N(5)acetyl-N(5)-hydroxyornithyl-N(5)acetyl-N(5)hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-4-hydroxyphenylglycyl)amino)-3-chloro-1-carba-3-cephem-4-carboxylic acid;AOAOHC;EKD 3-88;EKD-3-88

Chemical Property of Aoaohc

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1116°Cat760mmHg
• Flash Point: 628.8°C
• PSA: 352.28000
• Density: 1.55g/cm³
• LogP: 1.12630
• XLogP3: -5.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 20
• Exact Mass: 881.3322251
• Heavy Atom Count: 61
• Complexity: 1680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(CCCC(C(=O)N(C1C2CCC(=C(N2C1=O)C(=O)O)Cl)C(C3=CC=C(C=C3)O)C(=O)N(C(=O)C(CCCN(C(=O)C)O)N)C(=O)C(CCCN(C(=O)C)O)N)N)O
• Isomeric SMILES: CC(=O)N(CCC[C@@H](C(=O)N(C1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl)[C@@H](C3=CC=C(C=C3)O)C(=O)N(C(=O)[C@H](CCCN(C(=O)C)O)N)C(=O)[C@H](CCCN(C(=O)C)O)N)N)O

Technology Process of Aoaohc

There total 1 articles about Aoaohc 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: 100.0%

4-nitrobenzyl 7β-<5-acetyl-N5-(benzyloxy)-N2-(benzyloxycarbonyl)-L-ornithyl-N5-acetyl-N5-(benzyloxy)-L-ornithyl-N5-acetyl-N5-(benzyloxy)-L-ornithyl-D-4-(benzyloxy)phenylglycyl>amino>-1-carba-3-chloro-3-cephem-4-carboxylate (124620-64-0) → 7β-<(N5-acetyl-N5-hydroxy-L-ornithyl)-(N5-acetyl-N5-hydroxy-L-ornithyl)-(N5-acetyl-N5-hydroxy-L-ornithyl)-(D-(4-hydroxy)phenylglycyl)amino>-3-chloro-1-carba-3-cephem-4-carboxylic acid (124620-50-4)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; for 24h;

DOI:10.1021/jm00107a014

upstream raw materials:

4-nitrobenzyl 7β-<5-acetyl-N⁵-(benzyloxy)-N²-(benzyloxycarbonyl)-L-ornithyl-N⁵-acetyl-N⁵-(benzyloxy)-L-ornithyl-N⁵-acetyl-N⁵-(benzyloxy)-L-ornithyl-D-4-(benzyloxy)phenylglycyl>amino>-1-carba-3-chloro-3-cephem-4-carboxylate

Refernces

• 1、 Dolence, E. Kurt,Minnick, Albert A.,Miller, Marvin J.. "N5-Acetyl-N5-hydroxy-L-ornithine-Derived Siderophore-Carbacephalosporin β-Lactam Conjugates: Iron Transport Mediated Drug Delivery". . p. 461 - 464. Retrieved 2007/10/02.