6-(2,2,6,6-Tetramethylpiperidine-1-oxyl)-adenosine triphosphate

Base Information

• Chemical Name: 6-(2,2,6,6-Tetramethylpiperidine-1-oxyl)-adenosine triphosphate
• CAS No.: 33913-54-1
• Molecular Formula: C19H32 N6 O14 P3
• Molecular Weight: 661.410463
• DSSTox Substance ID: DTXSID90187536
• Mol file: 33913-54-1.mol

Synonyms:6-(2,2,6,6-tetramethylpiperidine-1-oxyl)-adenosine triphosphate;6-tempo-ATP

Chemical Property of 6-(2,2,6,6-Tetramethylpiperidine-1-oxyl)-adenosine triphosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 297.81000
• Density: g/cm³
• LogP: 0.57870
• XLogP3: -6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 661.11893571
• Heavy Atom Count: 42
• Complexity: 1110

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(CC(N1[O])(C)C)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C
• Isomeric SMILES: CC1(CC(CC(N1[O])(C)C)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C