2'-Deoxycytidine-5'-triphosphate

Base Information

• Chemical Name: 2'-Deoxycytidine-5'-triphosphate
• CAS No.: 2056-98-6
• Molecular Formula: C₉H₁₆N₃O₁₃P₃
• Molecular Weight: 467.16
• European Community (EC) Number: 218-153-9
• DSSTox Substance ID: DTXSID60942755
• Nikkaji Number: J247.702E
• Wikipedia: Deoxycytidine_triphosphate
• Wikidata: Q424680
• Metabolomics Workbench ID: 37538
• ChEMBL ID: CHEMBL560403
• Mol file: 2056-98-6.mol

Synonyms:2'-deoxycytidine 5'-triphosphate;2'-deoxycytidine 5'-triphosphate, 3H-labeled;2'-deoxycytidine 5'-triphosphate, magnesium salt;2'-deoxycytidine 5'-triphosphate, P''-(32)P-labeled;2'-deoxycytidine 5'-triphosphate, P-(32)P-labeled;dCTP;deoxycytidine triphosphate

Chemical Property of 2'-Deoxycytidine-5'-triphosphate

Chemical Property:

• Boiling Point: 811.5 °C at 760 mmHg
• PKA: 0.80±0.50(Predicted)
• Flash Point: 444.6 °C
• PSA: 282.45000
• Density: 2.38 g/cm³
• LogP: -0.16340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 466.98959857
• Heavy Atom Count: 28
• Complexity: 823

Purity/Quality:

99% ^*data from raw suppliers

Deoxycytidinetriphosphate >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2'-Deoxycytidine-5'-triphosphate

There total 12 articles about 2'-Deoxycytidine-5'-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: 82.5%

3’-O,N4-dibenzoyl-2’-deoxycytidine-5’-(γ-(2-(pyrenesulfonyl)ethyl))triphosphate → 2'-deoxycytidine 5'-triphosphate (2056-98-6,92587-94-5)

Guidance literature:

With ammonium hydroxide; In water; at 20 - 37 ℃; for 18h;

DOI:10.1021/jacs.9b04728

Reference yield: 12.0%

C9H15N3O14P4 → 2'-deoxycytidine 5'-triphosphate (2056-98-6,92587-94-5)

Guidance literature:

With pyridine; water; iodine; In N,N-dimethyl-formamide; at 20 ℃; for 2.25h;

Reference yield:

C14H23N4O6P → 2'-deoxycytidine 5'-triphosphate (2056-98-6,92587-94-5)

Guidance literature:

With tris(tetra-n-butylammonium) hydrogen pyrophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1021/ol049267j

upstream raw materials:

cytidine 5'-(dihydrogen phosphate)

dCDP

C₉H₁₂Cl₂N₃O₅P

2'-Deoxycytidine

Downstream raw materials:

2'-Deoxycytidine

5-iodo-2′-deoxycytidine triphosphate

N4-(6-aminohexyl)-dCTP

dCDP

Refernces

• 1、 Liao, Jen-Yu,Bala, Saikat,Ngor, Arlene K.,Yik, Eric J.,Chaput, John C.. "P(V) Reagents for the Scalable Synthesis of Natural and Modified Nucleoside Triphosphates". supporting information. p. 13286 - 13289. Retrieved 2019/09/04.
• 2、 Kore, Anilkumar R.,Shanmugasundaram, Muthian,Senthilvelan, Annamalai,Srinivasan, Balasubramanian. "An improved protection-free one-pot chemical synthesis of 2′-deoxynucleoside-5′-triphosphates". experimental part. p. 423 - 431. Retrieved 2012/08/14.