Cas no 137407-62-6 (4-Sulfocalix8arene)

4-Sulfocalix8arene structure
4-Sulfocalix8arene structure
Product Name:4-Sulfocalix8arene
CAS No:137407-62-6
MF:C56H48O32S8
MW:1489.48112869263
MDL:MFCD14708272
CID:183348
PubChem ID:87558877
Update Time:2025-04-19

4-Sulfocalix8arene Chemical and Physical Properties

Names and Identifiers

    • Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-5,11,17,23,29,35,41,47-octasulfonicacid, 49,50,51,52,53,54,55,56-octahydroxy-
    • 4-Sulfocalix[8]arene Hydrate
    • Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),...
    • Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,
    • 4-SULFOCALIX[8]ARENE
    • calix<8>arene-p-octasulphonic acid
    • 4-Sulfonic calix[8]arene
    • GL 2041
    • GL 522-Y-1
    • S0471
    • AS-75350
    • gl-522-y-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(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid
    • 137407-62-6
    • CS-0435509
    • 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
    • SCHEMBL15397115
    • sulfonato-calix[8]arene
    • 49,50,51,52,53,54,55,56-octahydroxynonacyclo[43.3.1.1(3),?.1?,(1)(3).1(1)?,(1)?.1(2)(1),(2)?.1(2)?,(3)(1).1(3)(3),(3)?.1(3)?,?(3)]hexapentaconta-1(49),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),40,42,45,47-tetracosaen-5,11,17,23,29,35,41,47-octasulfonic acid
    • CHEMBL4646079
    • DTXSID60349265
    • AKOS025213644
    • EVB
    • ,29,35,41,47-octasulfonic acid, 49,50,51,52,53,54,55,56-octahydroxy- (9CI)
    • Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid, 49,50,51,52,53,54,55,56-octahydroxy-
    • 4-Sulfocalix[8]arene, Hydrate
    • ene-5,11,17,23,29,35,41,47-octasulfonic acid, 49,50,51,52,53,54,55,56-octahydroxy-
    • nonacyclo[43.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~.1~33,37~.1~39,43~]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosa
    • 4-Sulfocalix8arene
    • MDL: MFCD14708272
    • Inchi: 1S/C56H48O32S8/c57-49-25-1-26-10-42(90(68,69)70)12-28(50(26)58)3-30-14-44(92(74,75)76)16-32(52(30)60)5-34-18-46(94(80,81)82)20-36(54(34)62)7-38-22-48(96(86,87)88)24-40(56(38)64)8-39-23-47(95(83,84)85)21-37(55(39)63)6-35-19-45(93(77,78)79)17-33(53(35)61)4-31-15-43(91(71,72)73)13-29(51(31)59)2-27(49)11-41(9-25)89(65,66)67/h9-24,57-64H,1-8H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)
    • InChI Key: KCEGJGDGMRAJEP-UHFFFAOYSA-N
    • SMILES: S(C1=CC2=C(C(=C1)CC1C=C(C=C(C=1O)CC1C=C(C=C(C=1O)CC1C=C(C=C(C=1O)CC1C=C(C=C(C=1O)CC1C=C(C=C(C=1O)CC1C=C(C=C(C=1O)CC1C=C(C=C(C=1O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 1487.99000
  • Monoisotopic Mass: 1487.989435
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 32
  • Heavy Atom Count: 96
  • Rotatable Bond Count: 8
  • Complexity: 2850
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 664

Experimental Properties

  • Color/Form: Silver green powder
  • Density: 1.2735 (rough estimate)
  • Melting Point: Not available
  • Boiling Point: 831.48°C (rough estimate)
  • Flash Point: °C
  • Refractive Index: 1.5530 (estimate)
  • PSA: 663.84000
  • LogP: 12.99120
  • Solubility: Not determined
  • Vapor Pressure: Not available

4-Sulfocalix8arene Security Information

4-Sulfocalix8arene Pricemore >>

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4-Sulfocalix8arene Production Method

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