trisilver(1+) ion 2-hydroxypropane-1,2,3-tricarboxylate

• ChemBase ID: 303832
• Molecular Formular: C6H5Ag3O7
• Molecular Mass: 512.7043
• Monoisotopic Mass: 509.7188185
• SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ag+].[Ag+].[Ag+]
• Canonical SMILES: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[Ag+].[Ag+].[Ag+]
• InChI: InChI=1S/C6H8O7.3Ag/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);;;/q;3*+1/p-3
• InChIKey: QUTYHQJYVDNJJA-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisilver(1+) ion 2-hydroxypropane-1,2,3-tricarboxylate
• IUPAC Traditional name: trisilver(1+) ion citrate
• Synonyms: Citric acid trisilver salt hydrate; Silver(I) citrate hydrate; 柠檬酸银(I)水合物

Database IDs

• CAS Number: 206986-90-5
• MDL Number: MFCD00150589

CALCULATED PROPERTIES

• Acid pKa: 3.0479515
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -4.949584
• LogD (pH = 7.4): -9.468992
• Log P: -1.3226875
• Molar Refractivity: 68.1352 cm^3
• Polarizability: 14.119506 Å^3
• Polar Surface Area: 140.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 170°C dec.

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A