Precorrin 6Y

Base Information

• Chemical Name: Precorrin 6Y
• CAS No.: 139663-55-1
• Molecular Formula: C₄₄H₅₆N₄O₁₆
• Molecular Weight: 896.946
• DSSTox Substance ID: DTXSID801099202
• Mol file: 139663-55-1.mol

Synonyms:precorrin 6y;precorrin-6y

Chemical Property of Precorrin 6Y

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1169.3°Cat760mmHg
• Flash Point: 661°C
• PSA: 347.18000
• Density: 1.51g/cm³
• LogP: 3.84830
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 20
• Exact Mass: 896.36913171
• Heavy Atom Count: 64
• Complexity: 2270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3=C(C(C(=N3)C=C4C(C(C(N4)(C5C(C(C(=CC(=N1)C(=C2CC(=O)O)CCC(=O)O)N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O
• Isomeric SMILES: CC12CC3=C(C(C(=N3)/C=C\4/C(C(C(N4)(C5C(C(/C(=C/C(=N1)C(=C2CC(=O)O)CCC(=O)O)/N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O

Technology Process of Precorrin 6Y

There total 1 articles about Precorrin 6Y 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:

precorrin-6x (132183-60-9) → precorrin-6y (139663-55-1)

Guidance literature:

With <4R-2H1>NADPH; precorrin-6x reductase;

DOI:10.1039/c39920000306

upstream raw materials:

precorrin-6x

Refernces