(2S,3R,4E)-2-azidooctadec-4-ene-1,3-diol

• ChemBase编号: 132363
• 分子式: C18H35N3O2
• 平均质量: 325.4894
• 单一同位素质量: 325.27292738
• SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])O
• Canonical SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@@H](N=[N+]=[N-])CO)O
• InChI: InChI=1S/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)17(16-22)20-21-19/h14-15,17-18,22-23H,2-13,16H2,1H3/b15-14+/t17-,18+/m0/s1
• InChIKey: XAPVDQFHDYWVTA-KRWOKUGFSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4E)-2-azidooctadec-4-ene-1,3-diol
• IUPAC传统名: (2S,3R,4E)-2-azidooctadec-4-ene-1,3-diol
• 别名: D-Sphingosine azide; (2S,3R,4E)-2-Azido-4-octadecene-1,3-diol; (2S,3R,4E)-2-Azido-4-octadecene-1,3-diol; Azido-erythro-sphingosine

登记号

• CAS号: 103348-49-8
• MDL号: MFCD00274378
• PubChem SID: 24890428; 162226640
• PubChem CID: 6438967

理论计算性质

• Acid pKa: 13.901384
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 5.3797607
• LogD (pH = 7.4): 5.3797603
• Log P: 5.4938064
• 摩尔折射率: 96.527 cm^3
• 极化性: 37.133575 Å^3
• 极化表面积: 69.89 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Dichloromethane; DMF; DMSO; Ethanol; Ethyl Acetate; Methanol
• 外观: White to Off-White Solid
• 熔点: 53-54°C

安全信息

• 保存条件: -20°C Freezer
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

详细说明

Toronto Research Chemicals - A926500

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