Tubercidin 5'-monophosphate

Base Information

• Chemical Name: Tubercidin 5'-monophosphate
• CAS No.: 16719-46-3
• Molecular Formula: C₁₁H₁₅N₄O₇P
• Molecular Weight: 346.236
• European Community (EC) Number: 634-104-8
• DSSTox Substance ID: DTXSID20182554
• Nikkaji Number: J708.750K
• Wikidata: Q27144730
• Mol file: 16719-46-3.mol

Synonyms:tubercidin 5'-monophosphate;tubercidin 5'-phosphate;TuMP

Chemical Property of Tubercidin 5'-monophosphate

Chemical Property:

• Vapor Pressure: 4.47E-25mmHg at 25°C
• Boiling Point: 772°Cat760mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 420.7°C
• PSA: 185.82000
• Density: 2.15g/cm³
• LogP: -0.23860
• Storage Temp.: -20°C
• XLogP3: -3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 346.06783583
• Heavy Atom Count: 23
• Complexity: 479

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C2=NC=NC(=C21)N)C3C(C(C(O3)COP(=O)(O)O)O)O
• Isomeric SMILES: C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

Technology Process of Tubercidin 5'-monophosphate

There total 3 articles about Tubercidin 5'-monophosphate 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: 46.0%

tubercidin (69-33-0) → tubercidin 5'-monophosphate (16719-46-3,28302-62-7)

Guidance literature:

With triethyl phosphate; trichlorophosphate; at 0 ℃; for 1h;

DOI:10.1021/acs.joc.7b02749

Reference yield:

→ tubercidin 5'-monophosphate (16719-46-3,28302-62-7)

Guidance literature:

Tubericidin V;

DOI:10.1021/bi00843a008

Reference yield:

→ 4-Amino-7-(β-D-ribofuranosyl-5'-phosphat)-7H-pyrrolo<2,3-d>pyrimidin (16719-46-3)

Guidance literature:

4-Amino-7-(2',5'-O-isopropyliden-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin, 1) 2-Cyan-ethylphosphat, Py, Dicyclohexylcarbodiimid <20grad, 18h>, 2) wss. LiOH <Δ, 1h>, 3) sd. wss. n-H2SO4 <1.5h>;

upstream raw materials:

tubercidin

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