diantimony(3+) ion dibarium(2+) ion pentakis(2,3-dihydroxybutanedioate)

• ChemBase编号: 108367
• 分子式: C20H20Ba2O30Sb2
• 平均质量: 1258.5288
• 单一同位素质量: 1257.62206324
• SMILES: [Sb+3].[Sb+3].[Ba+2].[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].[Sb+3].[Sb+3].[Ba+2].[Ba+2]
• InChI: InChI=1S/5C4H6O6.2Ba.2Sb/c5*5-1(3(7)8)2(6)4(9)10;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;/q;;;;;2*+2;2*+3/p-10
• InChIKey: BYONAXBLARPURO-UHFFFAOYSA-D

名称和登记号

名称

• IUPAC标准名: diantimony(3+) ion dibarium(2+) ion pentakis(2,3-dihydroxybutanedioate)
• IUPAC传统名: diantimony(3+) dibarium(2+) pentatartrate
• 别名: BARIUM ANTIMONY TARTRATE

登记号

• PubChem SID: 162106149
• PubChem CID: 44135391

理论计算性质

• Acid pKa: 2.719041
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• 摩尔折射率: 47.8876 cm^3
• 极化性: 10.630576 Å^3
• 极化表面积: 120.72 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05207119

MP Biomedicals Rare Chemical collection