CAS: 20196-67-2; (((2-(4-Hydroxyphenyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Thio)Ethylidene)Amino)Oxy)Sulfonic Acid

• 英文名称(((2-(4-Hydroxyphenyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Thio)Ethylidene)Amino)Oxy)Sulfonic Acid
• 中文名称(((2-(4-羟基苯基)-1-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)硫代)亚乙基)氨基)氧基)咪唑羧酸
• IUPAC名称(((2-(4-hydroxyphenyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid
• 其它别名[2-[3-(4-Hydroxy-3,5-Dimethoxyphenyl)Acryloyloxy]Ethyl]Trimethylammonium, Saltwith 1-Thio-Beta-D-Glucopyranose 1-[4-Hydroxy-N-(Sulphooxy)Phenylacetimidate] (1:1); (2-(3-(4-Hydroxy-3,5-Dimethoxyphenyl)Acryloyloxy)Ethyl)Trimethylammonium, Saltwith 1-Thio-Beta-D-Glucopyranose 1-(4-Hydroxy-N-(Sulphooxy)Phenylacetimidate) (1:1); 2-[3-(4-Hydroxy-3,5-Dimethoxyphenyl)Acryloyloxy]Ethyl]Trimethylammonium,Saltwith1-Thio-β-D-Glucopyranose1-[4-Hydroxy-N-(Sulphooxy)Phenylacetimidate](1:1)
• CAS编号20196-67-2
• EINECS号:243-582-3
• FDA UNII编号:Z0BYE1900W
• 分子式:C14H19NO10S2分子量:425.44
• 产品CID: 1025626
• 产品分类有机原料 → 有机氧化合物

• 相似结构搜索
• InChIKey: NUXXPTJGCLKPIG-VDHCZMMKSA-N
• InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t9-,11-,12+,13-,14+/m1/s1
• 计算化学: 氢键受体数9.0氢键供体数6.0可旋转键数7.0

物理性质

• 熔点100-102°
• 密度1.79±0.1 g/cm3(预测)
• PH:D20 -8.76° (c = 0.29)
• PSA:220.02
• LogP:-2.288

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902500000-苯乙烯
  2902600000-乙苯
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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
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