dibarium(2+) ion (phosphonatooxy)phosphonate

• ChemBase编号: 112289
• 分子式: Ba2O7P2
• 平均质量: 448.597322
• 单一同位素质量: 449.7224196
• SMILES: [Ba+2].[Ba+2].[O-]P(=O)([O-])OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(OP(=O)([O-])[O-])[O-].[Ba+2].[Ba+2]
• InChI: InChI=1S/2Ba.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
• InChIKey: RCUAPGYXYWSYKO-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: dibarium(2+) ion (phosphonatooxy)phosphonate
• IUPAC传统名: dibarium(2+) diphosphate
• 别名: BARIUM PHOSPHATE (PYRO)

登记号

• CAS号: 13466-21-2
• PubChem SID: 162097229
• PubChem CID: 166822

理论计算性质

• Acid pKa: 1.7026764
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -5.945248
• LogD (pH = 7.4): -6.9029593
• Log P: -1.4419023
• 摩尔折射率: 21.038 cm^3
• 极化性: 10.301113 Å^3
• 极化表面积: 135.61 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05223349

MP Biomedicals Rare Chemical collection