trizinc(2+) ion bis(2-hydroxypropane-1,2,3-tricarboxylate) dihydrate

• ChemBase ID: 111546
• Molecular Formular: C12H14O16Zn3
• Molecular Mass: 610.36996
• Monoisotopic Mass: 605.81561037
• SMILES: O.O.[Zn+2].[Zn+2].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/2C6H8O7.2H2O.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;;;/q;;;;3*+2/p-6
• InChIKey: OXAGUGIXGVHDGD-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trizinc(2+) ion bis(2-hydroxypropane-1,2,3-tricarboxylate) dihydrate
• IUPAC Traditional name: trizinc, ion (zn2+) dicitrate dihydrate; trizinc(2+) ion dicitrate dihydrate
• Synonyms: ZINC CITRATE; Citric acid zinc salt dihydrate; Zinc citrate dihydrate, Reagent Grade; 二水合柠檬酸锌, 试剂级

Database IDs

• CAS Number: 5990-32-9
• EC Number: 208-901-2
• MDL Number: MFCD00150587
• Merck Index: 1410134
• PubChem SID: 162096734
• PubChem CID: 16213234

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: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in dilute mineral acids and alkali hydroxides. Slightly soluble in water
• Apperance: Powder
• Melting Point: 334°C dec.

Safety Information

• RTECS: GE8360000
• TSCA Listed: 是

Product Information

• Purity: Zn 31% min