3'-O-phosphonatoadenosine

Base Information

• Chemical Name: 3'-O-phosphonatoadenosine
• CAS No.: 135245-29-3
• Molecular Formula: C₁₀H₁₂N₅O₇P
• Molecular Weight: 345.208
• DSSTox Substance ID: DTXSID701312388
• Wikidata: Q27129356
• Mol file: 135245-29-3.mol

Synonyms:3'-AMP(2-);3'-O-phosphonatoadenosine;3'-adenylate;nchembio867-comp6;135245-29-3;adenine-3'-monophosphate (2-);CHEBI:60880;DTXSID701312388;Q27129356;ADENOSINE 3 inverted exclamation marka-MONOPHOSPHATE FROM YEAST

Chemical Property of 3'-O-phosphonatoadenosine

Chemical Property:

• XLogP3: -2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 345.04743474
• Heavy Atom Count: 23
• Complexity: 469

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])[O-])O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])[O-])O)N

Technology Process of 3'-O-phosphonatoadenosine

There total 6 articles about 3'-O-phosphonatoadenosine 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 2′:3′-cyclic monophosphate (62906-30-3) → 2'-monophosphate of adenosine + 3'-monophosphate of adenosine (135245-29-3) + adenosine (58-61-7)

Guidance literature:

alpha cyclodextrin; In water; at 20 ℃; Rate constant; pH=11.08 (hydrogen bicarbonate buffer); cleavage selectivity; without catalyst, other temperature;

DOI:10.1021/ja00190a045

Reference yield:

adenylyl-(3'-5')-adenosine → 2'-monophosphate of adenosine + 3'-monophosphate of adenosine (135245-29-3) + adenosine 2',3'-cyclic monophosphate (634-01-5) + adenosine (58-61-7)

Guidance literature:

With HEPES buffer; dichloro(2,2':6',2''-terpyridine)manganese(II); In water; at 50 ℃; for 21h; pH=7.0; Further Variations:; Catalysts; pH-values; Kinetics; Product distribution;

DOI:10.1246/bcsj.76.1813

Reference yield:

adenylyl-(3'-5')-adenosine → 2'-monophosphate of adenosine + 3'-monophosphate of adenosine (135245-29-3) + adenosine (58-61-7)

Guidance literature:

alpha cyclodextrin; at 50 ℃; Rate constant; pH=11.08;

DOI:10.1016/0008-6215(89)85169-9

upstream raw materials:

adenosine 2′:3′-cyclic monophosphate