A-Cdp-optg

Base Information

Chemical Name:A-Cdp-optg
CAS No.:125592-28-1
Molecular Formula:C₄₆H₈₅N₃O₁₃P₂S*2Na
Molecular Weight:1028.19
Hs Code.:
Mol file:125592-28-1.mol

Synonyms:1-beta-arabinofuranosylcytosine 5'-diphosphate-1-octadecyl-2-O-palmitoyl-1-thioglycerol;A-CDP-OPTG;ara-CDP-1-S-octadecyl-2-O-palmitoyl-1-thioglycerol;ara-CDP-1-S-octadecyl-2-O-palmitoyl-1-thioglycerol, diammonia salt;ara-CDP-PTBA;Cytoros

Suppliers and Price of A-Cdp-optg

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of A-Cdp-optg

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：285.10000
Density:g/cm³
LogP:11.42550
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:44
Exact Mass:1029.52302357
Heavy Atom Count:67
Complexity:1430

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]
Isomeric SMILES:CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]

Technology Process of A-Cdp-optg

There total 6 articles about A-Cdp-optg 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: 37.85%

: 125592-21-4
rac-1-S-octadecyl-2-O-palmitoyl-1-thioglycerol 3-phosphate

: 125592-28-1,125592-33-8
cytoros

Guidance literature:: With pyridine; for 240h; Ambient temperature;
DOI:10.1021/jm00167a016

Reference yield:

: 7400-44-4
octadecylthio-1 propanediol-2,3

: 125592-28-1,125592-33-8
cytoros

Guidance literature:: Multi-step reaction with 5 steps

1: imidazole / dimethylformamide / 48 h / Ambient temperature

2: 97.8 percent / pyridine / toluene / 24 h / Ambient temperature

3: 62.6 percent / AcOH, tetrabutylammonium fluoride / tetrahydrofuran / 6 h / Ambient temperature

4: 44.7 percent / POCl₃, triethylamine / hexane; toluene / Ambient temperature

5: 37.85 percent / pyridine / 240 h / Ambient temperature

With pyridine; 1H-imidazole; tetrabutyl ammonium fluoride; acetic acid; triethylamine; trichlorophosphate; In tetrahydrofuran; hexane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm00167a016

Reference yield:

: 94478-27-0
rac-1-S-octadecyl-3-O-(tert-butyldimethylsilyl)-1-thioglycerol

: 125592-28-1,125592-33-8
cytoros

Guidance literature:: Multi-step reaction with 4 steps

1: 97.8 percent / pyridine / toluene / 24 h / Ambient temperature

2: 62.6 percent / AcOH, tetrabutylammonium fluoride / tetrahydrofuran / 6 h / Ambient temperature

3: 44.7 percent / POCl₃, triethylamine / hexane; toluene / Ambient temperature

4: 37.85 percent / pyridine / 240 h / Ambient temperature

With pyridine; tetrabutyl ammonium fluoride; acetic acid; triethylamine; trichlorophosphate; In tetrahydrofuran; hexane; toluene;
DOI:10.1021/jm00167a016