(2S,3R,4E)-2-azido-3-[(tert-butyldimethylsilyl)oxy]octadec-4-en-1-yl 2,2-dimethylpropanoate

• ChemBase编号: 160984
• 分子式: C29H57N3O3Si
• 平均质量: 523.86668
• 单一同位素质量: 523.41691923
• SMILES: O(C[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])C(=O)C(C)(C)C
• Canonical SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C29H57N3O3Si/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(35-36(8,9)29(5,6)7)25(31-32-30)24-34-27(33)28(2,3)4/h22-23,25-26H,10-21,24H2,1-9H3/b23-22+/t25-,26+/m0/s1
• InChIKey: DFUOSUDIKSYZMW-AMGHMTOGSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4E)-2-azido-3-[(tert-butyldimethylsilyl)oxy]octadec-4-en-1-yl 2,2-dimethylpropanoate
• IUPAC传统名: (2S,3R,4E)-2-azido-3-[(tert-butyldimethylsilyl)oxy]octadec-4-en-1-yl 2,2-dimethylpropanoate
• 别名: (2S,3R,4E)-2-Azido-3-(tert-butyldimethylsilyl)-1-pivaloyl-erythro-sphingosine; (2S,3R,4E)-2-Azido-3-(tertbutyldimethylsilyloxy)-1-pivaloyloxy-4-octadecene-3-ol

登记号

• CAS号: 114275-42-2
• PubChem SID: 162255119
• PubChem CID: 14101940

理论计算性质

• Acid pKa: 16.683914
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 9.8073
• LogD (pH = 7.4): 9.8073
• Log P: 9.8674
• 摩尔折射率: 149.229 cm^3
• 极化性: 60.544643 Å^3
• 极化表面积: 64.96 Å^2
• 可自由旋转的化学键: 22
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Acetone; Dichloromethane; Methanol
• 外观: Colourless Oil

详细说明

Toronto Research Chemicals - A822575

A derivative of Sphingosine, a selective inhibitor of protein kinase C activity and phorbol dibutyrate binding in vitro in human platelets; does not inhibit protein kinase A or myosin light chain kinase; inhibits calmodulin-dependent enzymes; natural isom