545198

Cucurbit[5]uril hydrate

contains acid of crystalization

• Linear Formula: C₃₀H₃₀N₂₀O₁₀ · xH₂O · xKCl · xHCl
• MDL number: MFCD03456499
• UNSPSC Code: 12162002
• PubChem Substance ID: 329758035
• NACRES: NA.23

Properties

• form: solid
• Quality Level: 100
• optical activity: [α]20/D −24°, c = 1 in H₂O
• contains: acid of crystalization
• solubility: aqueous acid: soluble; saline: soluble; sugar solution: soluble
• SMILES string: 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

Description

Application

Host material for supramolecular chemistry.

Features and Benefits

Biologically inert; biocompatible

Other Notes

May contain ca.20% water. Contains acid of crystallization.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)