GlyTouCan:G86666XG
GlyTouCan:G86666XG · CAS 160661-60-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- GlyTouCan:G86666XG
- CAS
- 160661-60-9
- CID
- 11815197
- IUPAC 名称
- (1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(sulfanylmethyl)-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
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- GlyTouCan:G86666XG
- CAS
- 160661-60-9
- CID
- 11815197
- IUPAC 名称
- (1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(sulfanylmethyl)-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
分子属性
- 分子式
- C42H70O28S7
- 分子量
- 1247.5 g/mol
- 精确质量
- 1246.2098598 Da
- 单同位素质量
- 1246.2098598 Da
- XLogP
- -8.2
- 极性表面积
- 419 Ų
- 氢键供体
- 21
- 氢键受体
- 35
- 可旋转键
- 7
- 重原子数
- 77
- 净电荷
- 0
- 结构复杂度
- 1510
结构标识
- InChIKey
- MAQZFSOYQPJIOQ-FOUAGVGXSA-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]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CS)CS)CS)CS)CS)CS)O)O)S
- InChI
- InChI=1S/C42H70O28S7/c43-15-22(50)36-57-8(1-71)29(15)64-37-23(51)16(44)31(10(3-73)58-37)66-39-25(53)18(46)33(12(5-75)60-39)68-41-27(55)20(48)35(14(7-77)62-41)70-42-28(56)21(49)34(13(6-76)63-42)69-40-26(54)19(47)32(11(4-74)61-40)67-38-24(52)17(45)30(65-36)9(2-72)59-38/h8-56,71-77H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1