5'-Adenylic acid, 2-amino-

Base Information

• Chemical Name: 5'-Adenylic acid, 2-amino-
• CAS No.: 7561-54-8
• Molecular Formula: C10H15N6O7P
• DSSTox Substance ID: DTXSID50388441
• Nikkaji Number: J1.233.043J
• Wikidata: Q27463691
• ChEMBL ID: CHEMBL1234595
• Mol file: 7561-54-8.mol

Synonyms:5'-Adenylic acid, 2-amino-;7561-54-8;2-Amino-5'-adenylic acid;[(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;((2R,3S,4R,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate;((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE;SCHEMBL1885550;CHEMBL1234595;DTXSID50388441;Q27463691;9H-Purine-2,6-diamine, 9-(5-O-phosphono-beta-D-ribofuranosyl)-;[(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;{[(2R,3S,4R,5R)-5-(2,6-diamino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Chemical Property of 5'-Adenylic acid, 2-amino-

Chemical Property:

• XLogP3: -3.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 362.07398384
• Heavy Atom Count: 24
• Complexity: 510

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)N)N
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N

Technology Process of 5'-Adenylic acid, 2-amino-

There total 3 articles about 5'-Adenylic acid, 2-amino- 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: 66.0%

adenosine-2-amine (2096-10-8) → adenosine-2-amine 5'-(dihydrogen phosphate) (7561-54-8,49717-85-3)

Guidance literature:

With triethyl phosphate; trichlorophosphate; at 0 ℃; for 1.5h;

DOI:10.1002/1522-2675(20000906)83:9<2541::AID-HLCA2541>3.0.CO;2-8

Reference yield:

5-phosphoribosyl-1-pyrophosphate (97-55-2,7540-64-9,99945-37-6,130384-52-0) + 2,6-diaminopurine (1904-98-9) → adenosine-2-amine 5'-(dihydrogen phosphate) (7561-54-8,49717-85-3)

Guidance literature:

With enzymesubstance from bovine liver;

Reference yield:

→ adenosine-2-amine 5'-(dihydrogen phosphate) (7561-54-8,49717-85-3)

Guidance literature:

2-Amino-adenosin, wss.POCl3, Triaethylphosphat;

DOI:10.1021/jm00274a015

upstream raw materials:

5-phosphoribosyl-1-pyrophosphate

2,6-diaminopurine

adenosine-2-amine