CID 6409652
CID 6409652 · CAS 53784-84-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- CID 6409652
- CAS
- 53784-84-2
- CID
- 6409652
- IUPAC 名称
- (1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- CID 6409652
- CAS
- 53784-84-2
- CID
- 6409652
- IUPAC 名称
- (1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
分子属性
- 分子式
- C48H72Br8O32
- 分子量
- 1800.3 g/mol
- 精确质量
- 1799.73917 Da
- 单同位素质量
- 1791.74737 Da
- XLogP
- -5.6
- 极性表面积
- 471 Ų
- 氢键供体
- 16
- 氢键受体
- 32
- 可旋转键
- 8
- 重原子数
- 88
- 净电荷
- 0
- 结构复杂度
- 1750
结构标识
- InChIKey
- ONWAJCGYJSVQSX-WTELGHNJSA-N
- SMILES
- C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@@H](C(C7O)O)O[C@@H]8C(O[C@@H](C(C8O)O)O[C@@H]9C(O[C@H](O2)C(C9O)O)CBr)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br
- InChI
- InChI=1S/C48H72Br8O32/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-48,57-72H,1-8H2/t9?,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-,43-,44-,45-,46-,47-,48-/m1/s1