Adotc cpd

Base Information

• Chemical Name: Adotc cpd
• CAS No.: 6542-44-5
• Molecular Formula: C₂₃H₂₅NO₈
• Molecular Weight: 443.453
• UNII: KF6I0R5HOO
• DSSTox Substance ID: DTXSID60984034
• Nikkaji Number: J81.232C
• Wikidata: Q82971067,Q105380893
• Mol file: 6542-44-5.mol

Synonyms:2-acetyl-2-decarboxamidooxytetracycline;2-acetyl-2-decarboxamidooxytetracycline, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha)-isomer);ADOTC cpd

Chemical Property of Adotc cpd

Chemical Property:

• Vapor Pressure: 7.28E-21mmHg at 25°C
• Boiling Point: 705.1°C at 760 mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 380.2°C
• PSA: 155.60000
• Density: 1.56g/cm³
• LogP: 0.73270
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 443.15801676
• Heavy Atom Count: 32
• Complexity: 967

Purity/Quality:

99%, ^*data from raw suppliers

2-ACETYL-2-DECARBOXAMIDOOXYTETRACYCLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C2(C(CC3C(=C(C4=C(C3(C)O)C=CC=C4O)O)C2=O)C(C1=O)N(C)C)O)O
• Isomeric SMILES: CC(=O)C1=C([C@@]2([C@@H](C[C@H]3C(=C(C4=C([C@@]3(C)O)C=CC=C4O)O)C2=O)[C@@H](C1=O)N(C)C)O)O

Technology Process of Adotc cpd

There total 2 articles about Adotc cpd 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:

→ 2-Acetyl-4-dimethylamino-4a,5a,6,12a-tetrahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-<4H,5H>-naphthacen-1,11-dion, 2-Acetyl-2-decarboxamido-tetracyclin (6542-44-5)

Guidance literature:

Durch Fermentierung d. Streptomyces aureofaciens-Mutante 2243 'Duggar';

Reference yield:

→ 2-Acetyl-2-decarboxamido-tetracyclin (6542-44-5)

Guidance literature:

Mikrobiol. in Gegenwart von Benzylthiocyanat durch Actinomyces aureofaciens;