N(6)-Aminohexyl-adenosine triphosphate

Base Information

• Chemical Name: N(6)-Aminohexyl-adenosine triphosphate
• CAS No.: 53602-93-0
• Molecular Formula: C16H29 N6 O13 P3
• Molecular Weight: 606.36
• DSSTox Substance ID: DTXSID80968376
• Nikkaji Number: J1.356.262H
• Mol file: 53602-93-0.mol

Synonyms:AH-ATP;N(6)-aminohexyl-adenosine triphosphate;N(6)-aminohexyl-ATP;N(6)-aminohexyladenosine triphosphate

Chemical Property of N(6)-Aminohexyl-adenosine triphosphate

Chemical Property:

• Boiling Point: 953.9°Cat760mmHg
• Flash Point: 530.7°C
• Density: 2.06g/cm³
• XLogP3: -6.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 15
• Exact Mass: 606.10054599
• Heavy Atom Count: 38
• Complexity: 916

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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