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

• ChemBase编号: 160983
• 分子式: C24H49N3O2Si
• 平均质量: 439.75026
• 单一同位素质量: 439.35940436
• SMILES: OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-]
• Canonical SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@@H](N=[N+]=[N-])CO)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C24H49N3O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(22(21-28)26-27-25)29-30(5,6)24(2,3)4/h19-20,22-23,28H,7-18,21H2,1-6H3/b20-19+/t22-,23+/m0/s1
• InChIKey: MALQUZUDYJXZJI-DWVLVAQTSA-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-ol
• IUPAC传统名: (2S,3R,4E)-2-azido-3-[(tert-butyldimethylsilyl)oxy]octadec-4-en-1-ol
• 别名: (2S,3R,4E)-2-Azido-3-(tertbutyldimethylsilyl)-4-octadecene-3-ol; (2S,3R,4E)-2-Azido-3-(tert-butyldimethylsilyl)-erythro-sphingosine

登记号

• CAS号: 114299-64-8
• PubChem SID: 162255118
• PubChem CID: 10917176

理论计算性质

• Acid pKa: 14.798953
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 7.5225
• LogD (pH = 7.4): 7.5225
• Log P: 7.5826
• 摩尔折射率: 126.3751 cm^3
• 极化性: 51.191944 Å^3
• 极化表面积: 58.89 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false

分子性质

理化性质

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

详细说明

Toronto Research Chemicals - A822550

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