N-[6-(2,2,2-Trifluoroacetamido)hexyl]adenosine 5'-(dihydrogen phosphate)

Base Information

• Chemical Name: N-[6-(2,2,2-Trifluoroacetamido)hexyl]adenosine 5'-(dihydrogen phosphate)
• CAS No.: 66060-76-2
• Molecular Formula: C18H26F3N6O8P
• DSSTox Substance ID: DTXSID10708686
• Wikidata: Q82643164
• Mol file: 66060-76-2.mol

Synonyms:66060-76-2;N-[6-(2,2,2-Trifluoroacetamido)hexyl]adenosine 5'-(dihydrogen phosphate);N6-(Trifluoroacetamidohexyl)adenosine 5'-Phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate;((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((6-(2,2,2-trifluoroacetamido)hexyl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate;SCHEMBL11267406;DTXSID10708686;LUBNWZPAWLZDDJ-XNIJJKJLSA-N;AKOS030255072

Chemical Property of N-[6-(2,2,2-Trifluoroacetamido)hexyl]adenosine 5'-(dihydrogen phosphate)

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 542.15018329
• Heavy Atom Count: 36
• Complexity: 780

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)NCCCCCCNC(=O)C(F)(F)F
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NCCCCCCNC(=O)C(F)(F)F