T3Y

25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid


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Chemical Component Summary

Name25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
Synonyms5,11,17,23-tetra-sulphonato-calix[4]arene-25,26,27,28-tetrol
Identifiersn/a
FormulaC28 H24 O16 S4
Molecular Weight744.741
TypeNON-POLYMER
Isomeric SMILESc1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O
InChIInChI=1S/C28H24O16S4/c29-25-13-1-14-6-22(46(36,37)38)8-16(26(14)30)3-18-10-24(48(42,43)44)12-20(28(18)32)4-19-11-23(47(39,40)41)9-17(27(19)31)2-15(25)7-21(5-13)45(33,34)35/h5-12,29-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)
InChIKeyJFYBCAFLVNKHHG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count0
Bond Count76
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL1092710
PubChem 644084
ChEMBL CHEMBL1092710
CCDC/CSD AJIQES, MUWLOG, OROXAV, JIHFUE, BUCRIA, AJIMEO, AJIRAP, AJIQAO, AJIQIW, AJIKUC, AJILIR, RADGOT, MUWLIA, AJIMIS, AJINUF, OGICEO, AJIMOY, AJINOZ, REBYEE, AJIKOW, AJILAJ, AJIMAK, GACZAN, REBYEE04, AJIPIV, REBYEE02, AJIKIQ, REBYEE03, APANIP, AJINAL, REBYEE01, AJINIT, PUQVAZ
COD 4509767, 7115031, 4513247, 1503675, 7205628