CAS: 38950-94-6; 5,7-Dihydroxy-8-((2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Phenyl)-4H-Chromen-4-One

• 英文名称5,7-Dihydroxy-8-((2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Phenyl)-4H-Chromen-4-One
• 中文名称牡荆素葡萄糖苷
• IUPAC名称5,7-dihydroxy-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one
• CAS编号38950-94-6
• MFCD编号:MFCD32197338
• 分子式:C27H30O15分子量:594.52
• 产品CID: 1401650
• 产品分类天然产物 → 黄酮类化合物

• 相似结构搜索
• InChIKey: CQJPSSJEHVNDFL-WIQAIWCDSA-N
• InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(41-15)18-12(31)5-11(30)17-13(32)6-14(40-25(17)18)9-1-3-10(4-2-9)39-27-24(38)22(36)20(34)16(8-29)42-27/h1-6,15-16,19-24,26
• 计算化学: 氢键受体数15.0氢键供体数10.0可旋转键数6.0

物理性质

• 沸点937.3±65.0 °C(预测)
• 闪点314.7±27.8 °C
• 密度1.723±0.06 g/cm3 (20 °C 760 Torr)
• pKa:6.25±0.40(预测)
• PSA:260.2
• LogP:-1.6
• 外观形态淡黄色至黄色固体

MSDS等安全信息

• 警示词warning
• 危险描述H303 may be harmful by ingestion +H313 may be harmful by skin contact +h2413 may be harmful by inhalation
• 防范说明P264 wash thoroughly after treatmentp280 wear protective gloves / wear protective clothing / wear protective eye masks / wear protective masksp305 if in eyesp351 rinse carefully with water for a few minutesp338 remove contact lenses (if any) and easy to operate, continue rinsingp337 if eye irritation persistsp2393 get medical advice / care
• 安全声明H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 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

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