1,N(6)-ethenoadenosine diphosphate

Base Information

• Chemical Name: 1,N(6)-ethenoadenosine diphosphate
• CAS No.: 38806-39-2
• Molecular Formula: C₁₂H₁₅N₅O₁₀P₂
• Molecular Weight: 451.226
• DSSTox Substance ID: DTXSID40192074
• Nikkaji Number: J328.094B
• Wikidata: Q76010390
• Mol file: 38806-39-2.mol

Synonyms:1,N(6)-etheno-ADP;1,N(6)-ethenoadenosine diphosphate;epsilon-ADP;ethenoadenosine diphosphate;NEADP

Chemical Property of 1,N(6)-ethenoadenosine diphosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 230.61000
• Density: 2.39g/cm³
• LogP: -1.07550
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 451.02941569
• Heavy Atom Count: 29
• Complexity: 713

Purity/Quality:

≥ 95 % by HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)O)O)O
• Isomeric SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O

Technology Process of 1,N(6)-ethenoadenosine diphosphate

There total 1 articles about 1,N(6)-ethenoadenosine diphosphate 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:

→ 1,N6-etheno-adenosine 5'-diphosphate (38806-39-2)

Guidance literature:

aus Chloracetaldehyd, entspr. Adenosinderivat;

Reference yield:

1,N6-etheno-adenosine 5'-diphosphate (38806-39-2) → 2-<(3-aminopropyl)thio>-adenosine 5'-diphosphate (110224-45-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / 1 M aq. NaOH / 3 h / 37 °C

2: 50 percent / Li₂CO₃ / dimethylsulfoxide / 168 h / Ambient temperature

3: 65 percent / Et₃N / dimethylformamide / 3 h

4: 24 percent / N-bromosuccinimide (NBS), 1 M aq. NaOH / 3 h / 25 °C

With sodium hydroxide; N-Bromosuccinimide; lithium carbonate; triethylamine; In dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1021/jm00394a015

Downstream raw materials:

2-<(3-aminopropyl)thio>-adenosine 5'-diphosphate