CAS: 174972-79-3; 3-Hydroxy-5-Oxo-5-((4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Benzyl)Oxy)-3-(((4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Benzyl)Oxy)Carbonyl)Pentanoic Acid

• 英文名称3-Hydroxy-5-Oxo-5-((4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Benzyl)Oxy)-3-(((4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Benzyl)Oxy)Carbonyl)Pentanoic Acid
• 中文名称巴利森苷B
• IUPAC名称3-hydroxy-5-oxo-5-((4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)oxy)-3-(((4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)oxy)carbonyl)pentanoic acid
• 其它别名Parishin B; [2-(Carboxymethyl)-2-Hydroxy-1,4-Dioxo-1,4-Butanediyl]Bis(Oxymethylene-4,1-Phenylene) Bis-Beta-D-Glucopyranoside; β-D-Glucopyranoside, [2-(Carboxymethyl)-2-Hydroxy-1,4-Dioxo-1,4-Butanediyl]Bis(Oxymethylene-4,1-Phenylene) Bis-; [2-(Carboxymethyl)-2-Hydroxy-1,4-Dioxo-1,4-Butanediyl]Bis(Oxymethylene-4,1-Phenylene) Bis-Beta-D-Glucopyranoside Usp/ep/bp; 3-Hydroxy-5-Oxo-5-((4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Benzyl)Oxy)-3-(((4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Benzyl)Oxy)Carbonyl)Pentanoic Acid; Parishin B-Rm; Parishin B, 10 Mm In Dmso
• CAS编号174972-79-3
• MFCD编号:MFCD29048568
• EINECS号:111-904-0
• 分子式:C32H40O19分子量:728.65
• 产品CID: 892892
• 产品分类Chemistry → Asymmetric Synthesis → Chiral Building Blocks | Ethers | Carboxylic Acids | Esters | Tetrahydropyrans | Inhibitors/Agonists → Immunology/Inflammation → ROS | Alcohols

• 相似结构搜索
• InChIKey: UNLDMOJTKKEMOG-IWOWLDPGSA-N
• InChI=1S/C32H40O19/c33-11-19-23(38)25(40)27(42)29(50-19)48-17-5-1-15(2-6-17)13-46-22(37)10-32(45,9-21(35)36)31(44)47-14-16-3-7-18(8-4-16)49-30-28(43)26(41)24(39)20(12-34)
• 计算化学: 氢键受体数19.0氢键供体数10.0可旋转键数17.0

物理性质

• 沸点1048.2±65.0 °C at 760 mmHg
• 闪点330.0±27.8 °C
• 密度1.6±0.1 g/cm3
• pKa:3.77±0.21(预测)
• LogP:-2.72
• 折射率1.650
• 蒸汽压0.0±0.3 mmHg at 25°C
• 溶解性DMF: 5 mg/mL; DMSO: 5 mg/mL; Pbs (Ph 7.2): 2 mg/mL
• 外观形态白色至类白色固体
• 储存条件2-8°C，密封保存，干燥环境，避光
• 产品应用该化合物用作内容确定,识别和药理实验.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
• 防范说明P264-P270-P301+P312-P330-P501

欧盟法规

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管