6-O-a-D-Glucosyl-a-cyclodextrin
6-O-a-D-Glucosyl-a-cyclodextrin · CAS 10058-19-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-O-a-D-Glucosyl-a-cyclodextrin
- CAS
- 10058-19-2
- CID
- 14017114
- IUPAC 名称
- 5,10,15,20,25-pentakis(hydroxymethyl)-30-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-O-a-D-Glucosyl-a-cyclodextrin
- CAS
- 10058-19-2
- CID
- 14017114
- IUPAC 名称
- 5,10,15,20,25-pentakis(hydroxymethyl)-30-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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
- C42H70O35
- 分子量
- 1135 g/mol
- 精确质量
- 1134.3697639 Da
- 单同位素质量
- 1134.3697639 Da
- XLogP
- -14.5
- 极性表面积
- 554 Ų
- 氢键供体
- 21
- 氢键受体
- 35
- 可旋转键
- 9
- 重原子数
- 77
- 净电荷
- 0
- 结构复杂度
- 1830
结构标识
- InChIKey
- GIZQJUDQRHMFRK-UHFFFAOYSA-N
- SMILES
- C(C1C(C(C(C(O1)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)O)O)O)O
- InChI
- InChI=1S/C42H70O35/c43-1-8-15(49)16(50)23(57)36(65-8)64-7-14-35-22(56)29(63)42(71-14)76-34-13(6-48)69-40(27(61)20(34)54)74-32-11(4-46)67-38(25(59)18(32)52)72-30-9(2-44)66-37(24(58)17(30)51)73-31-10(3-45)68-39(26(60)19(31)53)75-33-12(5-47)70-41(77-35)28(62)21(33)55/h8-63H,1-7H2