Cucurbituril（CAS号：80262-44-8）

葫芦脲

基本信息

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CAS号

80262-44-8

分子式

C36H36N24O12

分子量

996.82 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

熔点

~470 °C

SMILES

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C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C1=O

InChI

InChI=1S/C36H36N24O12/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63/h13-24H,1-12H2

InChIKey

MSBXTPRURXJCPF-UHFFFAOYSA-N

LogP

-7.15440

复杂度

2140

安全信息

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敏感性

易吸潮

同义词与引用数据

英文

BS-17595
SCHEMBL13527759
Cucurbit[6]uril (CB[6]) hydrate, 99%
A864715
dodecahydro-1H,4H,14H,17H-2,16:3,15-dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno[1''',6''':5'',6'',7'']cycloocta[1'',2'',3'':3',4']pentaleno(1',6':5,6,7)cycloocta(1,2,3-gh:1',2',3'-g'h')cycloocta(1,2,3-cd:5,6,7-c'd')dipentalene-1,4,6,8,10,12,14,17,19,21,23,25-dodecone
80262-44-8
D82910
Cucurbit[6]uril hydrate
3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone
CHEBI:51432
MFCD10567435
CB[6]
SCHEMBL16272338
CS-0188440
cucurbit[6]uril
Q413979
NS00123568
Cucurbit[n]uril b
Q27122602
Cucurbituril
SCHEMBL39370
MSBXTPRURXJCPF-UHFFFAOYSA-N
3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.3^{6,7.3^{11,12.3^{16,17.3^{21,22.2^{2,31.2^{26,33.1^{3,30.1^{5,8.1^{10,13.1^{15,18.1^{20,23.1^{25,28.1^{35,41.1^{37,55.1^{43,45.1^{47,49.1^{51,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone
HY-W130354
DTXSID101317823
Cucurbit(6)uril
CUCURBITURIL
1H,4H,14H,17H-2,16:3,15-Dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno1,6:5,6,7cycloocta1,2,3:3,4pentaleno1,6:5,6,7c
cucurbit[6]urit
Cucurbituril[6]
Curcubit[6]uril