ATP-gamma Amidate

Base Information

• Chemical Name: ATP-gamma Amidate
• CAS No.: 58430-80-1
• Molecular Formula: C₁₀H₁₇N₆O₁₂P₃
• Molecular Weight: 506.199
• UNII: 37J4WRW68U
• DSSTox Substance ID: DTXSID90973976
• Nikkaji Number: J1.736.334D
• Wikidata: Q82958096
• Mol file: 58430-80-1.mol

Synonyms:adenosine triphosphate-gamma amidate;ATP-gamma amidate

Chemical Property of ATP-gamma Amidate

Chemical Property:

• Boiling Point: 931.4°Cat760mmHg
• Flash Point: 517.1°C
• PSA: 314.35000
• Density: 2.63g/cm³
• LogP: -0.38110
• XLogP3: -6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 506.01173099
• Heavy Atom Count: 31
• Complexity: 807

Purity/Quality:

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)(N)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)(N)O)O)O)N

Technology Process of ATP-gamma Amidate

There total 2 articles about ATP-gamma Amidate 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) → App(NH)p (58430-80-1)

Guidance literature:

ATP; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In water; at 30 ℃; for 0.5h;

With ammonium hydroxide; In water; at 30 ℃; for 4h; Further stages;

DOI:10.1248/cpb.c21-00497

Reference yield:

C24H25N5O14P3Pol → App(NH)p (58430-80-1)

Guidance literature:

C₂₄H₂₅N₅O₁₄P₃Pol; With ammonia; water; In tetrahydrofuran; at 20 ℃; for 1.25h; solid phase reaction;

With Rexyn 101; In 1,4-dioxane; water; for 0.25h;

DOI:10.1021/ol900320r

upstream raw materials:

ATP

Refernces

• 1、 Ahmadibeni, Yousef,Tiwari, Rakesh K.,Sun, Gongqin,Parang, Keykavous. "Synthesis of nucleoside mono-, di-, and triphosphoramidates from solid-phase cyc/osaligenyl phosphitylating reagents". supporting information; experimental part. p. 2157 - 2160. Retrieved 2009/09/28.