5-Bromodeoxycytidine triphosphate

Base Information

• Chemical Name: 5-Bromodeoxycytidine triphosphate
• CAS No.: 30419-11-5
• Molecular Formula: C₉H₁₅BrN₃O₁₃P₃
• Molecular Weight: 546.056
• Nikkaji Number: J1.119.314E
• Mol file: 30419-11-5.mol

Synonyms:5-bromodeoxycytidine triphosphate;SCHEMBL149368;5-Bromo-2'-deoxycytidine 5'-triphosphoric acid

Chemical Property of 5-Bromodeoxycytidine triphosphate

Chemical Property:

• PSA: 291.93000
• LogP: 1.67490
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 544.90011
• Heavy Atom Count: 29
• Complexity: 873

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Technology Process of 5-Bromodeoxycytidine triphosphate

There total 1 articles about 5-Bromodeoxycytidine 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: 80.0%

cytidine triphosphate monosodium salt (6183-74-0) → 5-bromo-2'-deoxycytidine-5'-triphosphoric acid (30419-11-5)

Guidance literature:

With bromine; In formamide; at 20 ℃; for 1h;

DOI:10.1007/BF00580035

upstream raw materials:

cytidine triphosphate monosodium salt

Refernces