(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(iodomethyl)-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

七(6-碘-6-去氧)倍他环糊精

基本信息

(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(iodomethyl)-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

CAS号

30754-23-5

分子式

C42H63I7O28

分子量

1904.3 g/mol

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基本物理性质

熔点

218-222 °C

SMILES

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)CI)CI)CI)CI)CI)CI)O)O)I

InChI

InChI=1S/C42H63I7O28/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/h8-42,50-63H,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

InChIKey

YODKQJPYQJRHEQ-FOUAGVGXSA-N

LogP

-5.131699999999985

拓扑极性表面积

412.4400000000001 Ų

氢键供体/受体

14 / 28

复杂度

1510

分类与用途

化学分类

医药产品
原料药及中间体
中间体

安全信息

同义词与参考文献

英文

  • HEPTAKIS-6-IODO-6-DEOXY-BETA-CYCLODEXTRIN
  • Heptakis(6-iodo-6-deoxy)-
  • beta-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptadeoxy-6A,6B,6C,6D,6E,6F,6G-heptaiodo-
  • A-cyclodextrin
  • 30754-23-5
  • F72453
  • b-Cyclodextrin,6A,6B,6C,6D,6E,6F,6G-heptadeoxy-6A,6B,6C,6D,6E,6F,6G-heptaiodo-
  • heptakis(6-iodo-6-deoxy)-β-CD
  • heptakis-6-iodo-6-deoxy-β-cyclodextrin
  • 6-DEOXY-6-IODO-B-CYCLODEXTRIN
  • HEPTAKIS-6-IOD-6-DEOXY-BETA-CYCLODEXTRIN
  • 6A,6B,6C,6D,6E,6F,6G-Heptadeoxy-6A,6B,6C,6D,6E,6F,6G-heptaiodo-beta-cyclodextrin
  • Heptakis(6-deoxy-6-iodo)-beta-cyclodextrin
  • Heptakis(6-deoxy-6-iodo)cyclomaltoheptaose

中文

  • 七-6-碘-6-脱氧-Β-环糊精
  • 七(6-碘-6-去氧)倍他环糊精
  • 七(6-碘-6-脱氧)-beta-环糊精

MDL_Number

MFCD00803290

CAS号

30754-23-5

供应商信息

供应商名称 会员等级 认证状态 主要类别 最小订购量 操作
中国中国 - 湖北成海化工有限公司
中国中国 - 湖北达豪化工有限公司
中国中国 - 湖北拓邦化工有限公司
中国中国 - 上海瀚思化工有限公司