[4-(prop-2-enamido)phenyl]mercuryylium chloride

• ChemBase ID: 159434
• Molecular Formular: C9H8ClHgNO
• Molecular Mass: 382.20892
• Monoisotopic Mass: 383.00008456
• SMILES: c1c(ccc(c1)NC(=O)C=C)[Hg+].[Cl-]
• Canonical SMILES: C=CC(=O)Nc1ccc(cc1)[Hg+].[Cl-]
• InChI: InChI=1S/C9H8NO.ClH.Hg/c1-2-9(11)10-8-6-4-3-5-7-8;;/h2,4-7H,1H2,(H,10,11);1H;/q;;+1/p-1
• InChIKey: DIPGXZOGSJODTA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(prop-2-enamido)phenyl]mercuryylium chloride
• IUPAC Traditional name: [4-(prop-2-enamido)phenyl]mercuryylium chloride
• Synonyms: Chloro[4-[(1-oxo-2-propen-1-yl)amino]phenyl]mercury; N-Phenyl-2-propenamide Mercury Complex; APM; [(N-Acryloylamino)phenyl]mercuric Chloride

Database IDs

• CAS Number: 72136-45-9
• PubChem SID: 162253569
• PubChem CID: 71312982

CALCULATED PROPERTIES

• Acid pKa: 13.115381
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9802
• LogD (pH = 7.4): 0.98019916
• Log P: 0.9802
• Molar Refractivity: 44.985 cm^3
• Polarizability: 23.590433 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A191380

The interactions of 4-thiouridine and 5-[(methylamino)methyl]-2-thiouridine in tRNA and of phosphorothioate esters in nucleic acids with an organomercurial have been investigated. For this purpose, an affinity electrophoretic system has been developed in

REFERENCES

• Igloi, G.L., et al.: Biochemistry, 27, 3842 (1988)
• Ono, M., et al.: J. Biochem., 81, 1247 (1988)