[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate

Base Information

• Chemical Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate
• CAS No.: 119447-19-7
• Molecular Formula: C₁₀H₁₆N₆O₈P₂
• Molecular Weight: 410.22
• Mol file: 119447-19-7.mol

Synonyms:2'-deoxy-5'-adenylyl imidodiphosphate;dAMP-PNP

Chemical Property of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate

Chemical Property:

• Boiling Point: 851.8±75.0 °C(Predicted)
• PKA: 1.59±0.50(Predicted)
• Density: 2.38±0.1 g/cm3(Predicted)
• XLogP3: -2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 410.05048549
• Heavy Atom Count: 26
• Complexity: 608

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=N)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=N)(O)O)O

Technology Process of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate

There total 1 articles about [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate 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:

2'-deoxy-D-adenosine (958-09-8,7005-15-4) → 2'-deoxyadenosine 5'-(α,β-imido)diphosphate (119447-19-7)

Guidance literature:

With sodium hydroxide; triethyl phosphate; dichlorophosphinylphosphorimidic trichloride; Yield given. Multistep reaction; 1.) -15 deg C, 1.5 h, 2.) 1 h;

DOI:10.1006/bioo.1996.0023

upstream raw materials:

2'-deoxy-D-adenosine