Α-环糊精
Alpha-Cyclodextrin · CAS 10016-20-3
- 中文名
- Α-环糊精
- 中文别名
- 暂无
- 英文名
- Alpha-Cyclodextrin
- CAS
- 10016-20-3
- CID
- 444913
- IUPAC 名称
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
名称与编号
- 中文名
- Α-环糊精
- 中文别名
- 暂无
- 英文名
- Alpha-Cyclodextrin
- CAS
- 10016-20-3
- CID
- 444913
- IUPAC 名称
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
分子属性
- 分子式
- C36H60O30
- 分子量
- 972.8 g/mol
- 精确质量
- 972.31694049 Da
- 单同位素质量
- 972.31694049 Da
- XLogP
- -12.9
- 极性表面积
- 475 Ų
- 氢键供体
- 18
- 氢键受体
- 30
- 可旋转键
- 6
- 重原子数
- 66
- 净电荷
- 0
- 结构复杂度
- 1250
结构标识
- InChIKey
- HFHDHCJBZVLPGP-RWMJIURBSA-N
- SMILES
- C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
- InChI
- InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1