Cucurbituril | CAS No. 80262-44-8

Cucurbituril

Basic Information

CAS Number

80262-44-8

Molecular Formula

C36H36N24O12

Molecular Weight

996.82 g/mol

AD

Basic Physical Properties

Melting Point

~470 °C

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

Complexity

2140

Safety Information

View Safety Information

Sensitiveness

易吸潮

Synonyms & References

English

  • 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

MDL Number

MFCD01310281

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