Cucurbit[5]uril hydrate - Materials / Alfa Chemistry

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Hydrophilic Polymers

Cucurbit[5]uril hydrate

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Catalog Number

ACMA00003288

Product Name

Cucurbit[5]uril hydrate

Structure

Category

Hydrophilic Polymers

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.

Molecular Formula

C30H30N20O10 · xH2O · xKCl · xHCl

Canonical SMILES

O.Cl.[Cl-].[K+].O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN1C%15C2N%16CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%15C%16=O)C%12=O)C9=O)C6=O)C3=O

InChI

1S/C30H30N20O10.2ClH.K.H2O/c51-21-31-1-32-12-14-36(22(32)52)4-40-16-18-44(26(40)56)8-48-20-19-47(29(48)59)7-43-17-15-39(25(43)55)3-35(21)13-11(31)33-2-34(12)24(54)38(14)6-42(16)28(58)46(18)10-50(20)30(60)49(19)9-45(17)27(57)41(15)5-37(13)23(33)53;;;;/h11-20H,1-10H2;2*1H;;1H2/q;;;+1;/p-1/t11-,12+,13+,14-,15-,16+,17+,18-,19-,20+;;;;

InChI Key

VIWLZIOPOSWHFW-DVJLYPCZSA-M

Application

Host material for supramolecular chemistry.

Features And Benefits

Biologically inert; biocompatible

MDL Number

MFCD03456499

Packaging

Packaging
100 mg in glass insert

Storage Temperature

2-8°C