Hexanedioic acid,1,6-bis[(tetrahydro-2-furanyl)methyl] ester

• 常用名: Hexanedioic acid,1,6-bis[(tetrahydro-2-furanyl)methyl] ester
• 英文名: Hexanedioic acid,1,6-bis[(tetrahydro-2-furanyl)methyl] ester
• CAS号: 105-02-2
• 分子量: 314.37400
• 密度: 1.126g/cm3
• 沸点: 430.4ºC at 760 mmHg
• 分子式: C₁₆H₂₆O₆
• 熔点: N/A
• 闪点: 188.4ºC

名称

• 英文名: bis(oxolan-2-ylmethyl) hexanedioate

物理化学性质

• 密度: 1.126g/cm3
• 沸点: 430.4ºC at 760 mmHg
• 分子式: C₁₆H₂₆O₆
• 分子量: 314.37400
• 闪点: 188.4ºC
• 精确质量: 314.17300
• PSA: 71.06000
• LogP: 1.99120
• InChIKey: DMNQTEVDCGAATA-UHFFFAOYSA-N
• SMILES: O=C(CCCCC(=O)OCC1CCCO1)OCC1CCCO1
• 蒸汽压: 1.3E-07mmHg at 25°C
• 折射率: 1.476
• 分子结构:

  1、 摩尔折射率：83.42

  2、 摩尔体积（cm³/mol）：295.6

  3、 等张比容（90.2K）：754.0

  4、 表面张力（dyne/cm）：42.3

  5、 极化率（10-24cm3）：33.07

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:11

  5.互变异构体数量:无

  6.拓扑分子极性表面积71.1

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:323

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:2

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

安全信息

• 海关编码: 2932190090

海关

• 海关编码: 2932190090
• 中文概述: 2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

靶点实验

查看更多实验

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1100

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1101

实验名称：Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas... 来源：Broad Institute 靶标：N/A External Id：2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1149-MLP

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

共96条，当前第1页，共10页

1

2

3

4

5

英文别名

• Adipinsaeure-ditetrahydrofurfurylester
• adipic acid bis-tetrahydrofurfuryl ester
• EINECS 203-262-6
• Adipinsaeure-bis-tetrahydrofurfurylester
• hexanedioic acid bis-tetrahydrofurfuryl ester