λ1-rhodium(1+) ion (2R,5R)-1-{2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl}-2,5-dimethylphospholane cycloocta-1,5-diene trifluoromethanesulfonate

• ChemBase编号: 140539
• 分子式: C27H40F3O3P2RhS
• 平均质量: 666.5179316
• 单一同位素质量: 666.11805306
• SMILES: C[C@H]1P([C@@H](CC1)C)c1c(cccc1)P1[C@@H](CC[C@H]1C)C.C1C=CCCC=CC1.C(S(=O)(=O)[O-])(F)(F)F.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.FC(S(=O)(=O)[O-])(F)F.C[C@@H]1CC[C@H](P1c1ccccc1P1[C@H](C)CC[C@H]1C)C.[Rh+]
• InChI: InChI=1S/C18H28P2.C8H12.CHF3O3S.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/q;;;+1/p-1/t13-,14-,15-,16-;;;/m1.../s1
• InChIKey: AKJDLXZYNLUJQJ-DBMWKRJKSA-M

名称和登记号

名称

• IUPAC标准名: λ^1-rhodium(1+) ion (2R,5R)-1-{2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl}-2,5-dimethylphospholane cycloocta-1,5-diene trifluoromethanesulfonate
• IUPAC传统名: λ^1-rhodium(1+) ion (2R,5R)-1-{2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl}-2,5-dimethylphospholane 1,5-cyclooctadiene triflate
• 别名: 1,2-双[(2R,5R)-2,5-二甲基磷]苯(环辛二烯)三氟甲磺酸铑(I); 1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene(cyclooctadiene)rhodium(I) trifluoromethanesulfonate

登记号

• CAS号: 187682-63-9
• MDL号: MFCD00269862
• PubChem SID: 162234783; 24885289
• PubChem CID: 10974382

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9944432
• LogD (pH = 7.4): 4.1683583
• Log P: 4.1734
• 摩尔折射率: 90.6378 cm^3
• 极化性: 36.440712 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 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): C27H40F3O3P2RhS

详细说明

Sigma Aldrich - 675571

包装
100, 500 mg in glass bottle
Legal Information
与 Kanata Chemical Technologies Inc. 联合销售，仅供研究使用。这些化合物由 E.I. du Pont de Nemours and Company 授权制造和销售，此许可不包括利用这些化合物制备在制药领域销售的产品的权利。
Application
DuPhos and BPE Ligands: Highly Efficient Privileged Ligands