9H-fluoren-9-ylmethyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate

• ChemBase编号: 169323
• 分子式: C22H27NO4
• 平均质量: 369.45408
• 单一同位素质量: 369.19400835
• SMILES: c1ccc2c(c1)C(c1c2cccc1)COC(=O)NCCCCC(CO)CO
• Canonical SMILES: OCC(CCCCNC(=O)OCC1c2ccccc2c2c1cccc2)CO
• InChI: InChI=1S/C22H27NO4/c24-13-16(14-25)7-5-6-12-23-22(26)27-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,16,21,24-25H,5-7,12-15H2,(H,23,26)
• InChIKey: JQTRZMDYCYLHBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-fluoren-9-ylmethyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
• IUPAC传统名: 9H-fluoren-9-ylmethyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
• 别名: 2-(N-Fmoc-4-aminobutyl)-1,3-propanediol

登记号

• CAS号: 147190-31-6
• PubChem SID: 162263455
• PubChem CID: 5057696

理论计算性质

• Acid pKa: 15.034251
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 2.7447782
• LogD (pH = 7.4): 2.7447782
• Log P: 2.7447782
• 摩尔折射率: 105.3044 cm^3
• 极化性: 42.0972 Å^3
• 极化表面积: 78.79 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Ethyl Acetate
• 外观: White Solid
• 熔点: 88-90°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - F620000

A useful synthetic intermediate for oligonucleotide synthesis.

参考文献

• Nucleic Acids Research, 20, 23 (1993)