CAS: 85889-15-2; (S)-4-Hydroxy-2-(2-Hydroxypropan-2-yl)-7-((((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Methyl)-2,3-Dihydro-5H-Furo[3,2-G]Chromen-5-One

• 英文名称(S)-4-Hydroxy-2-(2-Hydroxypropan-2-yl)-7-((((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Methyl)-2,3-Dihydro-5H-Furo[3,2-G]Chromen-5-One
• 中文名称(S)7-[(β-D-吡喃葡萄糖氧基)甲基]-2,3-二氢-4-羟基-2-(1-羟基-1-甲基乙基)-5H-呋喃并[3,2-G][1]苯并吡喃-5-酮
• IUPAC名称(S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one
• 其它别名Prim-O-Glucosylangelicain; (S)7-[(Beta-D-Glucopyranosyloxy)Methyl]-2,3-Dihydro-4-Hydroxy-2-(1-Hydroxy-1-Methylethyl)-5H-Furo[3,2-G][1]Benzopyran-5-One; 5H-Furo[3,2-G][1]Benzopyran-5-One, 7-[(β-D-Glucopyranosyloxy)Methyl]-2,3-Dihydro-4-Hydroxy-2-(1-Hydroxy-1-Methylethyl)-, (2S)-
• CAS编号85889-15-2
• MFCD编号:MFCD20260626
• 分子式:C21H26O11分子量:454.43
• 产品CID: 1858198
• 产品分类天然产物 → 酚类天然产物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: YMKQLZWZRFMJBN-SHWJXYDWSA-N
• InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3/t13-,14+,17
• 计算化学: 氢键受体数11.0氢键供体数6.0可旋转键数5.0

物理性质

• 沸点727.7±60.0 °C(预测)
• 闪点254.6±26.4 °C
• 密度1.62±0.1 g/cm3(预测)
• pKa:6.59±0.60(预测)
• PSA:179.28
• LogP:-1.1105
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
• 💡 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

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