Mono-6-O-(p-toluenesulfonyl)-a-cyclodextrin
Mono-6-O-(p-toluenesulfonyl)-a-cyclodextrin · CAS 32860-56-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Mono-6-O-(p-toluenesulfonyl)-a-cyclodextrin
- CAS
- 32860-56-3
- CID
- 14056942
- IUPAC 名称
- [31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(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]dotetracontan-5-yl]methyl 4-methylbenzenesulfonate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Mono-6-O-(p-toluenesulfonyl)-a-cyclodextrin
- CAS
- 32860-56-3
- CID
- 14056942
- IUPAC 名称
- [31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(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]dotetracontan-5-yl]methyl 4-methylbenzenesulfonate
分子属性
- 分子式
- C43H66O32S
- 分子量
- 1127 g/mol
- 精确质量
- 1126.3257911 Da
- 单同位素质量
- 1126.3257911 Da
- XLogP
- -10.8
- 极性表面积
- 506 Ų
- 氢键供体
- 17
- 氢键受体
- 32
- 可旋转键
- 9
- 重原子数
- 76
- 净电荷
- 0
- 结构复杂度
- 1940
结构标识
- InChIKey
- ARQITQMHQNGIEE-UHFFFAOYSA-N
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O3)C(C8O)O)CO)CO)CO)CO)CO)O)O
- InChI
- InChI=1S/C43H66O32S/c1-12-2-4-13(5-3-12)76(61,62)63-11-19-37-25(54)31(60)43(69-19)74-36-18(10-48)67-41(29(58)23(36)52)72-34-16(8-46)65-39(27(56)21(34)50)70-32-14(6-44)64-38(26(55)20(32)49)71-33-15(7-45)66-40(28(57)22(33)51)73-35-17(9-47)68-42(75-37)30(59)24(35)53/h2-5,14-60H,6-11H2,1H3