1,2,3-triargentio 2-hydroxypropane-1,2,3-tricarboxylate hydrate

• ChemBase ID: 145034
• Molecular Formular: C6H7Ag3O8
• Molecular Mass: 530.71958
• Monoisotopic Mass: 527.72938318
• SMILES: C(C(=O)O[Ag])C(CC(=O)O[Ag])(C(=O)O[Ag])O.O
• Canonical SMILES: [Ag]OC(=O)C(CC(=O)O[Ag])(CC(=O)O[Ag])O.O
• InChI: InChI=1S/C6H8O7.3Ag.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3
• InChIKey: CUGZZMCNRSJKRJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-triargentio 2-hydroxypropane-1,2,3-tricarboxylate hydrate
• IUPAC Traditional name: hydrate silver citrate
• Synonyms: Citric acid trisilver salt hydrate; Silver citrate hydrate; 柠檬酸 三银盐 水合物; 柠檬酸银 水合物

Database IDs

• CAS Number: 206986-90-5
• EC Number: 204-786-8
• MDL Number: MFCD00150589
• PubChem SID: 24862176; 162239244
• PubChem CID: 16212313

CALCULATED PROPERTIES

• Acid pKa: 11.89059
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.84860015
• LogD (pH = 7.4): -0.84861404
• Log P: -1.5486
• Molar Refractivity: 32.8411 cm^3
• Polarizability: 29.217052 Å^3
• Polar Surface Area: 99.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 170 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: AgO2CCH2C(OH)(CO2Ag)CH2CO2Ag·xH2O

DETAILS

Sigma Aldrich - 361259

Packaging
10 g in glass bottle