N(6)-Methyl-3'-deoxy-5'-adenylic acid

Base Information

• Chemical Name: N(6)-Methyl-3'-deoxy-5'-adenylic acid
• CAS No.: 4362-94-1
• Molecular Formula: C11H16 N5 O6 P
• Molecular Weight: 345.25
• DSSTox Substance ID: DTXSID50195894
• Wikidata: Q83068957
• Mol file: 4362-94-1.mol

Synonyms:N(6)-MDAA;N(6)-methyl-3'-deoxy-5'-adenylic acid;N(6)-methyl-3'-deoxy-5'-AMP

Chemical Property of N(6)-Methyl-3'-deoxy-5'-adenylic acid

Chemical Property:

• Boiling Point: 728.3°Cat760mmHg
• Flash Point: 394.3°C
• PSA: 161.66000
• Density: 1.96g/cm³
• LogP: -0.30130
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 345.08382024
• Heavy Atom Count: 23
• Complexity: 466

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C2C(=NC=N1)N(C=N2)C3C(CC(O3)COP(=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)O)O