Adenylyl-(3'-5')-adenosine 3'-monophosphate

Base Information

• Chemical Name: Adenylyl-(3'-5')-adenosine 3'-monophosphate
• CAS No.: 3536-89-8
• Molecular Formula: C20H26N10O13P2
• Molecular Weight: 676.433
• European Community (EC) Number: 222-574-3
• DSSTox Substance ID: DTXSID901298829
• Nikkaji Number: J216.181H
• Mol file: 3536-89-8.mol

Synonyms:EINECS 222-574-3;3536-89-8;Adenylyl-(3'-5')-adenosine 3'-monophosphate;DTXSID901298829;C20H26N10O13P2;5'-O-(3'-Adenylyl)-3'-adenylic acid;Adenylyl-(3'-->5')-3'-adenylic acid

Chemical Property of Adenylyl-(3'-5')-adenosine 3'-monophosphate

Chemical Property:

• Boiling Point: 1174.9°Cat760mmHg
• Flash Point: 664.4°C
• PSA: 166.14000
• Density: 2.43g/cm³
• LogP: -0.01700
• XLogP3: -6.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 676.11560492
• Heavy Atom Count: 45
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(O)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(O)O)O)N

Technology Process of Adenylyl-(3'-5')-adenosine 3'-monophosphate

There total 1 articles about Adenylyl-(3'-5')-adenosine 3'-monophosphate 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:

→ adenylyl-(3'->5')-[3']adenylic acid (3536-89-8)

Guidance literature:

1.N⁶.O^5'-Dibenzoyl-2'-O-tetrahydropyranyl-(2)-adenosin-3'-phosphat(1c), Adenosin-3'-phosphorsaeure-benzhydrylester(2b), DCC, 2. konz. wss. NH3, 3. 80percent wss. Essigs.;

Reference yield:

adenylyl-(3'->5')-[3']adenylic acid (3536-89-8) → 1,N6-ethenoadenosine (39007-51-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 144 h / Ambient temperature; pH 4.5

2: E_. coli alkaline phosphatase

3: calf spleen phosphodiesterase

With Calf spleen phosphodiesterase; E_. coli alkaline phosphatase;

DOI:10.1021/ja00537a026

Downstream raw materials:

1,N₆-ethenoadenosine

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