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545198

Sigma-Aldrich

Cucurbit[5]uril hydrate

contains acid of crystalization

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

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

Related Categories

Application

Host material for supramolecular chemistry.

Features and Benefits

Biologically inert; biocompatible

Other Notes

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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