2-Thio-5-carboxymethyluridine

Base Information

• Chemical Name: 2-Thio-5-carboxymethyluridine
• CAS No.: 58479-77-9
• Molecular Formula: C11H14N2O7S
• Molecular Weight: 318.3031
• DSSTox Substance ID: DTXSID80207171
• Mol file: 58479-77-9.mol

Synonyms:2-thio-5-carboxymethyluridine

Chemical Property of 2-Thio-5-carboxymethyluridine

Chemical Property:

• PSA: 177.36000
• Density: 1.78g/cm³
• LogP: -1.44320
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 318.05217196
• Heavy Atom Count: 21
• Complexity: 509

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=S)N1C2C(C(C(O2)CO)O)O)CC(=O)O
• Isomeric SMILES: C1=C(C(=O)NC(=S)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O

Technology Process of 2-Thio-5-carboxymethyluridine

There total 2 articles about 2-Thio-5-carboxymethyluridine 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%

2-thio-5-<(methylcarboxy)methyl>uridine (20299-15-4) → 5-carboxymethyl-2-thiouridine (58479-77-9)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; for 24h;

DOI:10.1080/07328319908044873

Reference yield:

→ 5-carboxymethyl-2-thiouridine (58479-77-9)

Guidance literature:

2',3'-O-Isopropyliden-5-cyanomethyl-2-thiouridin (4b), 1.) 0.5n-NaOH, 2.) H+;

upstream raw materials:

2-thio-5-<(methylcarboxy)methyl>uridine