534-67-8 (去甲氟西汀,(R)-Lotaustralin)

CAS号:
534-67-8
中文名称:
去甲氟西汀
英文名称:
(R)-Lotaustralin
分子式:
C11H19NO6
分子量:
261.27166390419

去甲氟西汀(534-67-8)名称与标识符

名称

中文别名:
百脉根苷;百脉根苷 Butanenitrile, 2-(b-D-glucopyranosyloxy)-2-methyl-,(2R)-;去甲氟西汀;
英文别名:
Butanenitrile, 2-(b-D-glucopyranosyloxy)-2-methyl-,(2R)-;Lotaustralin;(R)-Lotaustralin;LOTAUSTRALIN(RG);Q905492;P588137A94;BUTANENITRILE, 2-(.BETA.-D-GLUCOPYRANOSYLOXY)-2-METHYL-, (2R)-;2(R)-hydroxy-2-methylbutyronitrile-beta-D- glucopyranoside;2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile;C08334;UNII-P588137A94;DTXSID30897501;AKOS040752682;ZINC04097529;(R)-2-(beta-D-Glucopyranosyloxy)-2-methylbutyronitrile;(R)-2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butanenitrile;NS00094436;Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-, (R)-;SureCN42924;(2R)-2-(beta-D-Glucopyranosyloxy)-2-methyl-butanenitrile;;(2R)-2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile;SCHEMBL42924;2(R)-Hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside;(2R)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile;AC1L9B81;2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside;(2R)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanenitrile;.BETA.-D-GLUCOPYRANOSYLOXY-2-METHYLBUTYRONITRILE (R);534-67-8;CHEBI:6542;2-(beta-D-Glucopyranosyloxy)-2-methyl-(R)-Butanenitrile;FT-0775511;FT-0627983;AKOS030242404;B0005-053966;BETA-D-GLUCOPYRANOSYLOXY-2-METHYLBUTYRONITRILE (R);DTXCID601326857;(2R)-2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybutanenitrile;(2R)-2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)butanenitrile;BUTANENITRILE, 2-(BETA-D-GLUCOPYRANOSYLOXY)-2-METHYL-, (2R)-;DA-55011;(2R)-2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-butanenitrile;

标识符

InChIKey:
WEWBWVMTOYUPHH-QHAQEBJBSA-N
Inchi:
1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@](C#N)(C)CC

去甲氟西汀(534-67-8)物化性质

实验特性

  • LogP : -1.50482
  • PSA : 123.17000
  • 折射率 : 1.543
  • 沸点 : 479.1 °C at 760 mmHg
  • 熔点 : 139ºC
  • 闪点 : 243.5 °C
  • 颜色与性状 : 油状 泡沫
  • 密度 : 1.36

计算特性

  • 精确分子量 : 261.12100
  • 氢键供体数量 : 4
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 4
  • 同位素质量 : 261.121
  • 重原子数量 : 18
  • 复杂度 : 329
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.1
  • 拓扑分子极性表面积 : 123A^2

去甲氟西汀(534-67-8)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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上海依赫生物科技有限公司 17721395025
021-68882955
张经理 2423903095
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