Adomac

Base Information

• Chemical Name: Adomac
• CAS No.: 142697-76-5
• Molecular Formula: C16H26N6O12S3
• Molecular Weight: 590.6056
• Mol file: 142697-76-5.mol

Synonyms:AdoMac;AdoMac disulfate;AdoMac disulfate (1R(-)-(1alpha,4beta))-;AdoMac disulfate (1S(-)-(1alpha,4alpha))-;S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene;S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene disulfate, (1S(-)-(1alpha,4alpha))-isomer

Chemical Property of Adomac

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 359.65000
• Density: g/cm³
• LogP: 0.04490
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 4
• Exact Mass: 590.07708381
• Heavy Atom Count: 37
• Complexity: 730

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[S+](C1CC(C=C1)N)C(C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)[O-]
• Isomeric SMILES: C[S+](C1CC(C=C1)N)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)[O-]