dizinc(2+) ion tris(zincdiol) hydrate dicarbonate

• ChemBase ID: 136869
• Molecular Formular: C2H8O13Zn5
• Molecular Mass: 566.97712
• Monoisotopic Mass: 559.64220032
• SMILES: C(=O)([O-])[O-].C(=O)([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.O.[Zn+2].[Zn+2]
• InChI: InChI=1S/2CH2O3.7H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);7*1H2;;;;;/q;;;;;;;;;5*+2/p-10
• InChIKey: OLGOUYOFGRSAOV-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: dizinc(2+) ion tris(zincdiol) hydrate dicarbonate
• IUPAC Traditional name: dizinc(2+) ion tris(zincdiol) hydrate dicarbonate
• Synonyms: Zinc carbonate hydroxide hydrate; 碱式碳酸锌 水合物

Database IDs

• MDL Number: MFCD00799180
• PubChem SID: 162231136
• PubChem CID: 71309999

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

Physical Property

• Melting Point: 300 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%