Cucurbit[8]uril hydrate, contains acid of crystalization

Code: 545228-100MG D2-231

Other Notes

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

Packaging

100 mg in glass insert


 

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£523.48 100MG
£628.18 inc. VAT
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containsacid of crystalization
formsolid
InChI keyCOYIBPCTQSGIKE-IIKCYMFNSA-N
InChI1S/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-;;
optical activity[α]20/D −61°, c = 1% in H2O
Quality Level100
SMILES stringO.Cl.O=C1N2CN3C4C5N(CN6C7C8N(CN9CCN(CNCCN(CNCCN(CNCC N(CN!C"C#N(CN1C$C2N%CN4C(=O)N5CN7C(=O)N8CNC(=O)NCNC(=O)NCNC(=O)NCNC(=O)N CN"C(=O)N#CN$C%=O)C!=O)C=O)C=O)C=O)C9=O)C6=O)C3=O
Cas Number259886-51-6
This product has met the following criteria: