Adenosine tetraphosphate

Base Information

• Chemical Name: Adenosine tetraphosphate
• CAS No.: 1062-98-2
• Molecular Formula: C10H17 N5 O16 P4
• Molecular Weight: 587.164
• DSSTox Substance ID: DTXSID901261206
• Nikkaji Number: J73.406C
• Wikipedia: Adenosine_5%27-tetraphosphate,Adenosine_5'-tetraphosphate
• Wikidata: Q27103009
• Metabolomics Workbench ID: 37751
• ChEMBL ID: CHEMBL490984
• Mol file: 1062-98-2.mol

Synonyms:adenosine 5'-tetraphosphate

Chemical Property of Adenosine tetraphosphate

Chemical Property:

• Boiling Point: 1020.7°Cat760mmHg
• PKA: 0.73±0.50(Predicted)
• Flash Point: 571.1°C
• PSA: 364.90000
• Density: 2.74g/cm³
• LogP: -0.93080
• XLogP3: -6.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 10
• Exact Mass: 586.96207746
• Heavy Atom Count: 35
• Complexity: 967

Purity/Quality:

98%,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)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)O)O)O)N

Technology Process of Adenosine tetraphosphate

There total 2 articles about Adenosine tetraphosphate 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: 26.0%

5'-adenosine monophosphate (61-19-8,24937-83-5,67583-85-1) → adenosine 5'-diphosphate (58-64-0,905904-58-7) + ATP (56-65-5,896506-78-8) + adenosine 5'-tetraphosphate (1062-98-2)

Guidance literature:

With manganese(ll) chloride; tri-1-benzimidazolylphosphine oxide; at 50 ℃; for 72h; N-ethylmorpholine buffer (pH 7.0);

DOI:10.1016/S0040-4039(00)74092-5

Reference yield:

ATP (56-65-5,896506-78-8) → adenosine 5'-diphosphate (58-64-0,905904-58-7) + adenosine 5'-tetraphosphate (1062-98-2)

Guidance literature:

With (E)-N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; nicotinamide phosphoribosyltransferase; water; at 37 ℃; Reagent/catalyst; Kinetics; Enzymatic reaction;

Reference yield: 80.0%

ATP (56-65-5,896506-78-8) + adenosine 5'-tetraphosphate (1062-98-2) → p1,p5-di(adenosine 5'-)pentaphosphate (41708-91-2)

Guidance literature:

With LEUCINE; In various solvent(s); at 40 ℃; at pH 7.5; ATP-regenerating system of acetate kinase, adenylate kinase, PPase with acetyl phosphate;

upstream raw materials:

5'-adenosine monophosphate

ATP

Downstream raw materials:

p¹,p⁵-di(adenosine 5'-)pentaphosphate

D-ribose 5-phosphate

7H-purin-6-ylamine

5'-adenosine monophosphate

Refernces

• 1、 Sawai, Hiroaki,Inaba, Yoshiko,Hirano, Atsushi,Wakai, Hiromichi,Shimazu, Masamitsu. "Mg(II) ION-MEDIATED CONVERSION OF MONO- AND OLIGONUCLEOTIDES TO 5'-POLYPHOSPHATES IN AQUEOUS SOLUTION". . p. 4801 - 4804. Retrieved 2007/10/02.