2-羟丙基-β-环糊精
5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;tetrakis(propan-1-ol) · CAS 94035-02-6
- 中文名
- 2-羟丙基-β-环糊精
- 中文别名
- 暂无
- 英文名
- 5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;tetrakis(propan-1-ol)
- CAS
- 94035-02-6
- CID
- 44134771
- IUPAC 名称
- 5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;tetrakis(propan-1-ol)
名称与编号
- 中文名
- 2-羟丙基-β-环糊精
- 中文别名
- 暂无
- 英文名
- 5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;tetrakis(propan-1-ol)
- CAS
- 94035-02-6
- CID
- 44134771
- IUPAC 名称
- 5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;tetrakis(propan-1-ol)
分子属性
- 分子式
- C54H102O39
- 分子量
- 1375.4 g/mol
- 精确质量
- 1374.5998234 Da
- 单同位素质量
- 1374.5998234 Da
- XLogP
- 暂无
- 极性表面积
- 635 Ų
- 氢键供体
- 25
- 氢键受体
- 39
- 可旋转键
- 11
- 重原子数
- 93
- 净电荷
- 0
- 结构复杂度
- 1490
结构标识
- InChIKey
- BZRWCHBEBFPRGF-UHFFFAOYSA-N
- SMILES
- CCCO.CCCO.CCCO.CCCO.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O
- InChI
- InChI=1S/C42H70O35.4C3H8O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;4*1-2-3-4/h8-63H,1-7H2;4*4H,2-3H2,1H3