CID 4269332

Base Information

• Chemical Name: CID 4269332
• CAS No.: 15867-02-4
• Molecular Formula: C₁₀H₁₄N₅O₇PS
• Molecular Weight: 379.29
• NSC Number: 408090
• Mol file: 15867-02-4.mol

Synonyms:NSC408090;SCHEMBL15833214;[(2R,5R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Chemical Property of CID 4269332

Chemical Property:

• Vapor Pressure: 1.81E-32mmHg at 25°C
• Boiling Point: 871.7°Cat760mmHg
• Flash Point: 481°C
• PSA: 234.68000
• Density: 2.39g/cm³
• LogP: -0.99310
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 379.03515597
• Heavy Atom Count: 24
• Complexity: 602

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=S)N

Technology Process of CID 4269332

There total 4 articles about CID 4269332 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:

Guanosine 5'-monophosphate (85-32-5) → 6-thioguanosine-5’-O-monophosphate (15867-02-4)

Guidance literature:

With L-Cysteine; pyridoxal 5'-phosphate; YcfA adenylating enzyme from Escherichia coli; YcfC sulfur mobilizing enzyme from Escherichia coli; ATP; In aq. buffer; at 30 ℃; for 2h; pH=7.5;

DOI:10.1002/anie.201804158

Reference yield:

→ 6-thioguanosine-5'-monophosphate (15867-02-4)

Guidance literature:

2-Amino-9-(2',3'-isopropyliden-β-D-ribofuranosyl)-6-mercapto-purin,1.)Di-p-nitrophenylphosphat(Dioxan,Di-p-tolyl-carbodiimid) ->2-Amino-9-(2',3'-O-isopropyliden-β-D-ribofuranosyl)-6-mercaptopurin-5'-di-p-nitrophenylphosphat 2.)n-LiOH,Eg.>;

DOI:10.1021/ja01462a030

Reference yield:

→ 6-thioguanosine-5’-O-monophosphate (15867-02-4)

Guidance literature:

thioguanosine (II),EtO3PO,POCl3,H2O,Et3N;

upstream raw materials:

Guanosine 5'-monophosphate

Downstream raw materials:

S-methylthioguanosine-5'-monophosphate