Adenosine-5'-phosphosulfate

Base Information

• Chemical Name: Adenosine-5'-phosphosulfate
• CAS No.: 485-84-7
• Molecular Formula: C10H14 N5 O10 P S
• Molecular Weight: 427.288
• Nikkaji Number: J37.502K
• Wikidata: Q356138
• Metabolomics Workbench ID: 37541
• ChEMBL ID: CHEMBL572546
• Mol file: 485-84-7.mol

Synonyms:5'-Phosphosulfate, Adenosine;Adenosine 5' Phosphosulfate;Adenosine 5'-Phosphosulfate;Adenosine Phosphosulfate;Adenylyl Sulfate;Phospho Adenylsulfate;Phospho-Adenylsulfate;Phosphosulfate, Adenosine;Sulfate, Adenylyl

Chemical Property of Adenosine-5'-phosphosulfate

Chemical Property:

• PSA: 247.63000
• LogP: -0.37390
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 427.01989983
• Heavy Atom Count: 27
• Complexity: 692

Purity/Quality:

97% ^*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)OS(=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)OS(=O)(=O)O)O)O)N

Technology Process of Adenosine-5'-phosphosulfate

There total 4 articles about Adenosine-5'-phosphosulfate 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:

ATP (56-65-5,896506-78-8) → adenosine 5'-diphosphate (58-64-0,905904-58-7) + adenosine 5'-phosphosulfate (485-84-7) + PAPS (482-67-7)

Guidance literature:

Reference yield:

5'-adenosine monophosphate (61-19-8,24937-83-5,67583-85-1) → adenosine 5'-phosphosulfate (485-84-7)

Guidance literature:

With pyridine; sulfuric acid; dicyclohexyl-carbodiimide;

DOI:10.1021/ja01513a032

Reference yield:

5'-adenosine monophosphate (61-19-8,24937-83-5,67583-85-1) → adenosine 5'-phosphosulfate (485-84-7)

Guidance literature:

With sodium hydrogencarbonate;

upstream raw materials:

5'-adenosine monophosphate

ATP

Downstream raw materials:

5'-adenosine monophosphate

adenosine 5'-diphosphate

Refernces

• 1、 B?uerlein,Wieland. "Model experimenton oxidative phosphorylation. XI. Tocopherol and S-acetyl-para-thiocresol as gens in the oxidative phosphorylation of adenosine diphosphate". . p. 1299 - 1303. Retrieved 2007/10/07.