Acmptn

Base Information

• Chemical Name: Acmptn
• CAS No.: 130320-50-2
• Molecular Formula: C11H14 N5 O4 P S
• Molecular Weight: 343.2987
• DSSTox Substance ID: DTXSID70926682
• Mol file: 130320-50-2.mol

Synonyms:ACMPTN;adenosine 3',5'-cyclic methylphosphonothioate

Chemical Property of Acmptn

Chemical Property:

• Boiling Point: 672.6°Cat760mmHg
• Flash Point: 360.6°C
• PSA: 170.44000
• Density: 1.88g/cm³
• LogP: 1.92780
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 343.05041212
• Heavy Atom Count: 22
• Complexity: 509

Purity/Quality:

3',5'-CYCLIC METHYLPHOSPHONOTHIOATE ADENOSINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(=S)(O)OCC1C(=CC(O1)N2C=NC3=C(N=CN=C32)N)O
• Isomeric SMILES: CP(=S)(O)OC[C@@H]1C(=C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O