silver(1+) ion docosanoate

• ChemBase ID: 129466
• Molecular Formular: C22H43AgO2
• Molecular Mass: 447.44382
• Monoisotopic Mass: 446.23140262
• SMILES: [Ag+].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ag+]
• InChI: InChI=1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1
• InChIKey: AQRYNYUOKMNDDV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: silver(1+) ion docosanoate
• IUPAC Traditional name: silver(1+) ion behenate
• Synonyms: Silver docosanoate; Behenic acid silver salt; Silver behenate

Database IDs

• CAS Number: 2489-05-6
• PubChem SID: 162223759
• PubChem CID: 164971
• Chemspider ID: 144632
• Wikipedia Title: Silver_behenate

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.268189
• LogD (pH = 7.4): 6.509054
• Log P: 8.923995
• Molar Refractivity: 115.5267 cm^3
• Polarizability: 41.676483 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false