(1R,2R)-1,2-diphenylethane-1,2-diamine; [14-(diphenylphosphanyl)-15-[(triphenylmethoxy)methyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl]diphenylphosphane; dichlororuthenium

• ChemBase编号: 303825
• 分子式: C74H66Cl2N2OP2Ru
• 平均质量: 1233.252162
• 单一同位素质量: 1232.30709236
• SMILES: c1ccc(cc1)[C@H]([C@@H](c1ccccc1)N)N.c12c(cc(c(c1)P(c1ccccc1)c1ccccc1)CCc1ccc(c(c1)P(c1ccccc1)c1ccccc1)CC2)COC(c1ccccc1)(c1ccccc1)c1ccccc1.[Ru](Cl)Cl
• Canonical SMILES: c1ccc(cc1)P(c1cc2CCc3ccc(CCc1cc2COC(c1ccccc1)(c1ccccc1)c1ccccc1)cc3P(c1ccccc1)c1ccccc1)c1ccccc1.N[C@@H]([C@@H](c1ccccc1)N)c1ccccc1.Cl[Ru]Cl
• InChI: InChI=1S/C60H50OP2.C14H16N2.2ClH.Ru/c1-8-22-51(23-9-1)60(52-24-10-2-11-25-52,53-26-12-3-13-27-53)61-45-50-43-49-39-37-46-36-38-47(58(42-46)62(54-28-14-4-15-29-54)55-30-16-5-17-31-55)40-41-48(50)44-59(49)63(56-32-18-6-19-33-56)57-34-20-7-21-35-57;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-36,38,42-44H,37,39-41,45H2;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
• InChIKey: CNZMXTDUNVHFOM-ODQAEMFESA-L

名称和登记号

名称

• IUPAC标准名: (1R,2R)-1,2-diphenylethane-1,2-diamine; [14-(diphenylphosphanyl)-15-[(triphenylmethoxy)methyl]tricyclo[8.2.2.2^4,^7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl]diphenylphosphane; dichlororuthenium
• IUPAC传统名: (1R,2R)-1,2-diphenylethane-1,2-diamine; [14-(diphenylphosphanyl)-15-[(triphenylmethoxy)methyl]tricyclo[8.2.2.2^4,^7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl]diphenylphosphane; dichlororuthenium
• 别名: (S)-Paraphos Ruthenium Cl2 (R,R)-DPEN; (S)-Paraphos RutheniumCl2 (R,R)-DPEN

登记号

• MDL号: MFCD08064217

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 15.9531
• LogD (pH = 7.4): 15.9531
• Log P: 15.9531
• 摩尔折射率: 266.4235 cm^3
• 极化性: 103.48192 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Powder

安全信息

• TSCA收录: 否