Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester

Base Information

• Chemical Name: Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester
• CAS No.: 1256-10-6
• Molecular Formula: C14H27 N4 O11 P2
• Molecular Weight: 489.336
• European Community (EC) Number: 215-018-6
• Mol file: 1256-10-6.mol

Synonyms:EINECS 215-018-6;1256-10-6;Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester;[[1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-(trimethylazaniumyl)propoxy]-hydroxyphosphoryl] hydrogen phosphate;Cytidine 5/'-(trihydrogen diphosphate), mono[2-(trimethylammonio)ethyl] ester;C14H27N4O11P2;C14-H27-N4-O11-P2;Cytidine 5'-(trihydrogen diphosphate), mono[2-(trimethylammonio)ethyl] ester

Chemical Property of Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester

Chemical Property:

• PSA: 243.51000
• LogP: -1.28290
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 488.10733165
• Heavy Atom Count: 31
• Complexity: 836

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCC(C1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OP(=O)(O)OP(=O)(O)[O-]
• Isomeric SMILES: C[N+](C)(C)CCC([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OP(=O)(O)OP(=O)(O)[O-]

Technology Process of Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester

There total 2 articles about Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester 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:

phosphocholine (3616-04-4) + cytidine triphosphate (65-47-4,13191-15-6) → Citicholine (1256-10-6)

Guidance literature:

With Plasmodium falciparum CTP:phosphocholine cytidylyltransferase (528–795)^Δ720–737; at 20 ℃; Kinetics; Enzymatic reaction;

DOI:10.1111/febs.12282

Reference yield:

→ Citicholine (1256-10-6)

Guidance literature:

Mikrobiol. Herst. durch Saccharomyces rouxii oder Zygosaccharomyces soya;

upstream raw materials:

phosphocholine

cytidine triphosphate

Refernces