palladium(2+) ion [(2S,3S)-3-(diphenylphosphanyl)butan-2-yl]diphenylphosphane prop-2-en-1-ide perchlorate

• ChemBase编号: 137034
• 分子式: C31H33ClO4P2Pd
• 平均质量: 673.411842
• 单一同位素质量: 672.05774648
• SMILES: C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.C=C[CH2-].[O-][Cl](=O)(=O)=O.[Pd+2]
• Canonical SMILES: [O-][Cl](=O)(=O)=O.C[C@H](P(c1ccccc1)c1ccccc1)[C@@H](P(c1ccccc1)c1ccccc1)C.[CH2-]C=C.[Pd+2]
• InChI: InChI=1S/C28H28P2.C3H5.ClHO4.Pd/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-3-2;2-1(3,4)5;/h3-24H,1-2H3;3H,1-2H2;(H,2,3,4,5);/q;-1;;+2/p-1/t23-,24-;;;/m0.../s1
• InChIKey: QJPJCJOUDRLJQU-HFYJLKHYSA-M

名称和登记号

名称

• IUPAC标准名: palladium(2+) ion [(2S,3S)-3-(diphenylphosphanyl)butan-2-yl]diphenylphosphane prop-2-en-1-ide perchlorate
• IUPAC传统名: palladium(2+) ion chiraphos prop-2-en-1-ide perchlorate
• 别名: ([2S,3S]-双[二苯基膦]丁烷)(η3-烯丙基)高氯酸钯(II); ([2S,3S]-Bis[Diphenylphosphino]butane) (η3-allyl) palladium(II) perchlorate

登记号

• CAS号: 95070-72-7
• MDL号: MFCD00075409
• PubChem SID: 162231300
• PubChem CID: 71310019

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.5686
• LogD (pH = 7.4): 7.5686
• Log P: 7.5686
• 摩尔折射率: 130.6148 cm^3
• 极化性: 52.05793 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C31H33ClO4P2Pd