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七取代磺丁醚-beta-环糊精 | 165133-56-2

七取代磺丁醚-beta-环糊精
4-[[36,37,38,39,40,41,42,43,44,45,46,48,49-Tridecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-47-(4-sulfobutoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy]butane-1-sulfonic acid
165133-56-2
C50H86O41S2
1407.3233
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:七取代磺丁醚-beta-环糊精结构式
名称和标识符
MDL MFCD27665407
InChIKey UKAWYWGUNZUQQR-UHFFFAOYSA-N
Inchi 1S/C50H86O41S2/c51-9-16-36-23(57)29(63)45(78-16)86-38-18(11-53)80-47(31(65)25(38)59)88-40-20(13-55)82-49(33(67)27(40)61)90-42-22(15-76-5-1-3-7-92(70,71)72)84-50(43(35(42)69)77-6-2-4-8-93(73,74)75)91-41-21(14-56)83-48(34(68)28(41)62)89-39-19(12-54)81-46(32(66)26(39)60)87-37-17(10-52)79-44(85-36)30(64)24(37)58/h16-69H,1-15H2,(H,70,71,72)(H,73,74,75)
SMILES S(C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC1([H])C2([H])OC([H])(C([H])([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])C([H])(C1([H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O2)O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])(=O)(=O)O[H]
别名信息
- 中文别名 -
  • 七取代磺丁醚-beta-环糊精
  • 七取代磺丁醚-β-环糊精
- 英文别名 -
  • Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin
  • β-?Cyclodextrin, heptakis-?O-?(4-?sulfobutyl)?-
  • 4-[[36,37,38,39,40,41,42,43,44,45,46,48,49-Tridecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-47
  • Heptakis-O-(4-sulfobutyl)-β-Cyclodextrin
物化性质
实验特性
LogP -14.50310
PSA 637.03000
计算特性
精确分子量 1288.40000
氢键供体数量 21
氢键受体数量 41
可旋转化学键数量 19
重原子数量 93
复杂度 2490
拓扑分子极性表面积 658
960化工网为您提供七取代磺丁醚-beta-环糊精专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:165133-56-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等
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