Diadenosine hexaphosphate

Base Information

• Chemical Name: Diadenosine hexaphosphate
• CAS No.: 56983-23-4
• Molecular Formula: C20H30 N10 O25 P6
• Molecular Weight: 996.353
• Nikkaji Number: J260.039K
• Wikidata: Q27132725
• Metabolomics Workbench ID: 37705
• Mol file: 56983-23-4.mol

Synonyms:Ap(6)A;Ap6A;diadenosine 5',5''''-P1,P6-hexaphosphate;diadenosine hexaphosphate;P1,P6-di(adenosine-5')hexaphosphate

Chemical Property of Diadenosine hexaphosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1359.4°Cat760mmHg
• Flash Point: 775.9°C
• PSA: 585.89000
• Density: 2.75g/cm³
• LogP: -1.05000
• XLogP3: -10.5
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 18
• Exact Mass: 995.98092847
• Heavy Atom Count: 61
• Complexity: 1760

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

Technology Process of Diadenosine hexaphosphate

There total 1 articles about Diadenosine hexaphosphate 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:

adenosine 5'-trimetaphosphate (53355-60-5) + tris(tributylammonio)-ADP (73763-39-0) → P1,P6-di(adenosine-5') hexaphosphate (56983-23-4) + Diadenosine tetraphosphate (5542-28-9,117137-55-0) + p1,p5-di(adenosine 5'-)pentaphosphate (41708-91-2)

Guidance literature:

In N,N-dimethyl-formamide; at 35 ℃; for 18h; Yields of byproduct given;

DOI:10.1021/jm00348a006

upstream raw materials:

adenosine 5'-trimetaphosphate

tris(tributylammonio)-ADP

Refernces