Cucurbit[8]uril hydrate

Cat.No ACMA00003286

Basic Information Description Application Features And Benefits

Catalog Number	ACMA00003286
IUPAC Name	3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone;hydrate
Molecular Weight	1347.1g/mol
Molecular Formula	C48H48N32O16 · xH2O · xHCl
Canonical SMILES	O.Cl.O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN1C%24C2N%25CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN%24C%25=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
InChI	1S/C48H48N32O16.ClH.H2O/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83;;/h17-32H,1-16H2;1H;1H2/t17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-;;
InChI Key	COYIBPCTQSGIKE-IIKCYMFNSA-N
Contains	acid of crystalization
MDL Number	MFCD03456501
Packaging	Packaging 100 mg in glass insert
PubChem ID	329758037
Quality Level	100
Storage Temperature	2-8°C

Description Cucurbiturils are macrocyclic molecules made of glycoluril monomers linked by methylene bridges. The oxygen atoms are located along the edges of the band and are tilted inwards, forming a partly enclosed cavity.
Cucurbiturils are commonly written as cucurbit[n]uril, where n is the number of glycoluril units. Two common abbreviations are CB[n], or simply CBn.

Application Chemists have used cucurbituril for a variety of applications, including drug delivery, asymmetric synthesis, molecular switching, and dye tuning.

Features And Benefits These compounds are particularly interesting to chemists because they are suitable hosts for an array of neutral and cationic species. The binding mode is thought to occur through hydrophobic interactions, and, in the case of cationic guests, through cation-dipole interactions as well. The dimensions of cucurbiturils are generally on the ~ 10 Å size scale. For instance, the cavity of cucurbit[6]uril has a height ~ 9.1 Å, an outer diameter of ~ 5.8 Å, and an inner diameter of ~ 3.9 Å.