Merck, 545198-100MG, Cucurbit[5]uril hydrate
Size:100 mg, contains acid of crystalization
Catalog Number: 545198-100MG
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Pack Size100 mg
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| NACRES | NA.23 |
|---|---|
| PubChem Substance ID | 329758035 |
| UNSPSC Code | 12162002 |
| MDL number | MFCD03456499 |
| 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+;;;; |
| 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 key | VIWLZIOPOSWHFW-DVJLYPCZSA-M |
| form | solid |
| optical activity | [α]20/D −24°, c = 1 in H2O |
| contains | acid of crystalization |
| solubility | aqueous acid: soluble |
| Quality Level | 100 |
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