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
Find entries where: T3Y
is present as a standalone ligand in 8 entries
Chemical Component Summary | |
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Name | 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 |
Synonyms | 5,11,17,23-tetra-sulphonato-calix[4]arene-25,26,27,28-tetrol |
Identifiers | n/a |
Formula | C28 H24 O16 S4 |
Molecular Weight | 744.741 |
Type | NON-POLYMER |
Isomeric SMILES | c1c(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 |
InChI | InChI=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) |
InChIKey | JFYBCAFLVNKHHG-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 72 |
Chiral Atom Count | 0 |
Bond Count | 76 |
Aromatic Bond Count | 24 |
Related Resource References
Resource Name | Reference |
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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, 7234850, 7115031, 4513247, 1503675, 7205628 |