[(1R,2R)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl methanesulfonate

• ChemBase编号: 165192
• 分子式: C10H20O6S2
• 平均质量: 300.3922
• 单一同位素质量: 300.07013036
• SMILES: C1CC[C@H]([C@@H](C1)COS(=O)(=O)C)COS(=O)(=O)C
• Canonical SMILES: CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C
• InChI: InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
• InChIKey: JIHKCHWEXXZTOU-UWVGGRQHSA-N

名称和登记号

名称

• IUPAC标准名: [(1R,2R)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl methanesulfonate
• IUPAC传统名: [(1R,2R)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl methanesulfonate
• 别名: (1R-trans)-1,2-Cyclohexanedimethanol Dimethanesulfonate; (1R,2R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane; (1R,2R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexan; (1R,2R)-1,2-Cyclohexanedimethanol 1,2-Dimethanesulfonate; (R,R)-1,2-Bis(Methanesulphonyloxymethyl)cyclohexane

登记号

• CAS号: 186204-35-3
• MDL号: MFCD12923309
• PubChem SID: 162259325
• PubChem CID: 253483

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.39632887
• LogD (pH = 7.4): 0.39632887
• Log P: 0.39632887
• 摩尔折射率: 65.9116 cm^3
• 极化性: 28.331623 Å^3
• 极化表面积: 86.74 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Off-white Solid

产品相关信息

• 纯度: 95+%