CAS: 17331-72-5; 3,5-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One

• 英文名称3,5-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One
• 中文名称异鼠李亭 7-α-L-鼠李糖苷
• IUPAC名称3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
• 其它别名Isorhamnetin 7-O-α-L-Rhamnoside; Isorhamnetin 7-O-Alpha-L-Rhamnoside; 4H-1-Benzopyran-4-One, 7-[(6-Deoxy-α-L-Mannopyranosyl)Oxy]-3,5-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-; 7-O-Alpha-L-Rhamnopyranoside-3,4',5,7-Tetrahydroxy-3'-Methoxyflavone
• CAS编号17331-72-5
• MFCD编号:MFCD31746982
• 分子式:C22H22O11分子量:462.41
• 产品CID: 886174
• 产品分类Inhibitors/Agonists → Anti-infection → SARS-CoV

• 相似结构搜索
• InChIKey: XLQFMBLUUSGXQY-FDTPGTFWSA-N
• InChI=1S/C22H22O11/c1-8-16(25)18(27)20(29)22(31-8)32-10-6-12(24)15-14(7-10)33-21(19(28)17(15)26)9-3-4-11(23)13(5-9)30-2/h3-8,16,18,20,22-25,27-29H,1-2H3/t8-,16-,18+,20+,2
• 计算化学: 氢键受体数11.0氢键供体数6.0可旋转键数4.0

物理性质

• 熔点240 °C
• 沸点767.9±60.0 °C(预测)
• 密度1.630±0.06 g/cm3(预测)
• pKa:5.92±0.40(预测)
• LogP:0.855

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
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• 详情请参考：📖 海关编码查询和海关进出口税则

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