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

Base Information

• Chemical Name: 6-(2,2,6,6,-Tetramethylpiperidine-1-oxyl)-adenosine diphosphate
• CAS No.: 61468-67-5
• Molecular Formula: C19H31 N6 O11 P2
• Molecular Weight: 581.430562
• DSSTox Substance ID: DTXSID30210418
• Mol file: 61468-67-5.mol

Synonyms:6-(2,2,6,6,-tetramethylpiperidine-1-oxyl)-adenosine diphosphate;6-tempo-ADP

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

Chemical Property:

• PSA: 241.47000
• LogP: 0.46170
• XLogP3: -4.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 581.15260482
• Heavy Atom Count: 38
• Complexity: 938

Purity/Quality:

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)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)O)O)O)C