N(6)-Methyldeoxyadenosine 5'-triphosphate

Base Information

• Chemical Name: N(6)-Methyldeoxyadenosine 5'-triphosphate
• CAS No.: 5085-65-4
• Molecular Formula: C11H18 N5 O12 P3
• Molecular Weight: 505.21
• DSSTox Substance ID: DTXSID80965082
• Mol file: 5085-65-4.mol

Synonyms:M6 DATP;N(6)-methyldeoxyadenosine 5'-triphosphate

Chemical Property of N(6)-Methyldeoxyadenosine 5'-triphosphate

Chemical Property:

• PSA: 274.34000
• LogP: -0.06730
• XLogP3: -4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 505.01648202
• Heavy Atom Count: 31
• Complexity: 785

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1=C2C(=NC=N1)N(C=N2)C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
• Isomeric SMILES: CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O