Products 844478-23-5

CAS 844478-23-5 appears in our catalog under these names: 4-Sulfocalix(8)arene xhydrate, 98+%, 4-Sulfocalix[8]arene Hydrate, >98.0%(HPLC), 4-Sulfocalix[8]arene xhydrate, 98%, 98%, 4-Sulfocalix[8]arene xhydrate, 98+%. Offered by: AmBeed, TCI, Chemat. Available pack sizes: 5g, 1g, 100mg, 250mg.

Structural formula: {0} (CAS {1})

49,50,51,52,53,54,55,56-octahydroxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid;hydrate (CAS 844478-23-5) is a chemical compound with the molecular formula C56H50O33S8 and a molecular weight of 1507.5 g/mol. IUPAC name: 49,50,51,52,53,54,55,56-octahydroxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid;hydrate. InChIKey: ORHUKXAPVQBOQR-UHFFFAOYSA-N.

Identity
Molecular formulaC56H50O33S8
Molecular weight1507.5 g/mol
IUPAC name49,50,51,52,53,54,55,56-octahydroxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid;hydrate
InChIKeyORHUKXAPVQBOQR-UHFFFAOYSA-N
SMILESC1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)S(=O)(=O)O)CC7=C(C(=CC(=C7)S(=O)(=O)O)CC8=C(C(=CC(=C8)S(=O)(=O)O)CC9=C(C1=CC(=C9)S(=O)(=O)O)O)O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.O

Computed by PubChem (NCBI)