dizinc(2+) ion tris(zincdiol) dicarbonate

• ChemBase ID: 158761
• Molecular Formular: C2H6O12Zn5
• Molecular Mass: 548.96184
• Monoisotopic Mass: 541.63163563
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].O[Zn]O.O[Zn]O.O[Zn]O.[Zn+2].[Zn+2]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].O[Zn]O.O[Zn]O.O[Zn]O.[Zn+2].[Zn+2]
• InChI: InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10
• InChIKey: UOURRHZRLGCVDA-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: dizinc(2+) ion tris(zincdiol) dicarbonate
• IUPAC Traditional name: dizinc(2+) ion tris(zincdiol) dicarbonate
• Synonyms: Zinc hydroxide carbonate; Zinc carbonate basic; Zinc subcarbonate; Zinc carbonate hydroxide; 碳酸锌氢氧化物; 碱式碳酸锌

Database IDs

• CAS Number: 5263-02-5
• EC Number: 226-076-7
• MDL Number: MFCD00151660; MFCD00011519
• PubChem SID: 162252897; 24848639; 24890301
• PubChem CID: 16211276

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 2
• TSCA Listed: 否
• GHS Hazard statements: H413
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥53% Zn basis; ≥58% Zn basis (KT); 97%, Zn >58.0%
• Grade: purum p.a.; technical
• Cation Traces: Ca: ≤5000 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤200 mg/kg; K: ≤200 mg/kg; Na: ≤1000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤3000 mg/kg; chloride (Cl-): ≤500 mg/kg; sulfate (SO42-): ≤1.5%; sulfate (SO42-): ≤5000 mg/kg
• Quality Level: GMP
• Linear Formula: [ZnCO3]2 · [Zn(OH)2]3