[2-(6-Amino-9H-purin-9-YL)-1-methylethoxy]methyl-triphosphate

Base Information

• Chemical Name: [2-(6-Amino-9H-purin-9-YL)-1-methylethoxy]methyl-triphosphate
• CAS No.: 166403-66-3
• Molecular Formula: C9H16N5O10P3
• Molecular Weight: 447.17
• DSSTox Substance ID: DTXSID70420498
• Nikkaji Number: J2.392.633D
• Wikidata: Q27466645
• ChEMBL ID: CHEMBL1236349
• Mol file: 166403-66-3.mol

Synonyms:tenofovir diphosphate

Chemical Property of [2-(6-Amino-9H-purin-9-YL)-1-methylethoxy]methyl-triphosphate

Chemical Property:

• PSA: 258.87000
• LogP: 0.76400
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 447.01100272
• Heavy Atom Count: 27
• Complexity: 662

Purity/Quality:

97% ^*data from raw suppliers

Tenofovir Diphosphate Triethylamine Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
• Isomeric SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O

Technology Process of [2-(6-Amino-9H-purin-9-YL)-1-methylethoxy]methyl-triphosphate

There total 1 articles about [2-(6-Amino-9H-purin-9-YL)-1-methylethoxy]methyl-triphosphate 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:

(R)-9-[2-(phosphonomethoxy)propyl]adenine phosphate (206646-04-0) → Tenofovir diphosphate (166403-66-3)

Guidance literature:

With recombinant human nucleoside diphosphate kinase A; ATP; at 37 ℃; pH=7.5; Reagent/catalyst; Kinetics; aq. buffer;

DOI:10.1080/15257770903155899

upstream raw materials:

(R)-9-[2-(phosphonomethoxy)propyl]adenine phosphate