6-Selenoinosine

Base Information

• Chemical Name: 6-Selenoinosine
• CAS No.: 40093-99-0
• Molecular Formula: C10H11N4O4Se
• Molecular Weight: 330.1787
• European Community (EC) Number: 637-038-8
• DSSTox Substance ID: DTXSID30193136
• Nikkaji Number: J622.127K
• Wikidata: Q76324304
• Mol file: 40093-99-0.mol

Synonyms:6-Selenoinosine;40093-99-0;Inosine, 6-seleno-;6-Selenopurine riboside;SELENOINOSINE;NSC 167895;6-Selenoxo-9-(beta-D-ribofuranosyl)purine;(2R,3R,4S,5R)-2-(6-Hydroseleno-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;SCHEMBL4407039;SCHEMBL10910231;DTXSID30193136;DB02753;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-selanyl-9H-purin-9-yl)oxolane-3,4-diol

Chemical Property of 6-Selenoinosine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 14.44±0.10(Predicted)
• Flash Point: °C
• PSA: 116.42000
• Density: g/cm³
• LogP: -1.81610
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 330.99455
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

6-SELENOINOSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(C(=N1)[Se])N=CN2C3C(C(C(O3)CO)O)O
• Isomeric SMILES: C1=NC2=C(C(=N1)[Se])N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Technology Process of 6-Selenoinosine

There total 4 articles about 6-Selenoinosine 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: 66.0%

6-Chloropurine riboside (2004-06-0) → 6-selenoinosine (40093-99-0)

Guidance literature:

With sodium hydrogen selenide; In water; at 70 ℃; for 0.166667h;

Reference yield:

→ 6-Selenoxo-9-(β-D-arabinofuranosyl)-purin (40093-99-0,56477-16-8)

Guidance literature:

Aus dem Purin (III) und NaHSe;;

DOI:10.1002/jps.2600640818

Reference yield:

→ 6-selenoinosine (40093-99-0)

Guidance literature:

Adenosin, H2Se;

upstream raw materials:

6-Chloropurine riboside