Thymidine-3',5'-diphosphate

Base Information

• Chemical Name: Thymidine-3',5'-diphosphate
• CAS No.: 2863-04-9
• Molecular Formula: C₁₀H₁₆N₂O₁₁P₂
• Molecular Weight: 402.191
• DSSTox Substance ID: DTXSID30951298
• Nikkaji Number: J1.833.651K
• Wikidata: Q76010318
• Metabolomics Workbench ID: 148673
• ChEMBL ID: CHEMBL1235491
• Mol file: 2863-04-9.mol

Synonyms:deoxythymidine 3',5'-bisphosphate;pdTp;thymidine 3',5'-biphosphate;thymidine 3',5'-diphosphate

Chemical Property of Thymidine-3',5'-diphosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.83±0.10(Predicted)
• Flash Point: °C
• PSA: 217.23000
• Density: 1.83g/cm³
• LogP: -1.28030
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 402.02293333
• Heavy Atom Count: 25
• Complexity: 682

Purity/Quality:

97% ^*data from raw suppliers

Thymidine-3',5'-diphosphate sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)O
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O

Technology Process of Thymidine-3',5'-diphosphate

There total 6 articles about Thymidine-3',5'-diphosphate 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:

dibenzyl phosphochloridate (538-37-4) + thymidine (50-89-5,28854-96-8,3545-96-8,50-88-4) → thymidine 5'-phosphate (365-07-1,15108-71-1,60363-32-8,96744-88-6,132696-16-3,143838-77-1) + Thymidine 3',5'-diphosphate (2863-04-9,96684-79-6)

Guidance literature:

With pyridine; Hydrierung des Reaktionsprodukts an Palladium/Kohle in wss.Aethanol;

Reference yield:

→ Thymidine 3',5'-diphosphate (2863-04-9,96684-79-6)

Guidance literature:

With sulfuric acid; Hydrolysis;

DOI:10.1093/gerona/56.1.M5

Reference yield:

→ Thymidine 3',5'-diphosphate (2863-04-9,96684-79-6)

Guidance literature:

With sulfuric acid; Hydrolysis;

DOI:10.1093/gerona/56.1.M5

upstream raw materials:

dibenzyl phosphochloridate

thymidine