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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Properties Simple | Detailed

Formula C23H14O16S4
IUPAC 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
Molecular Mass 674.608 g·mol−1
Heat of Formation 397.9 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 618.7 Å 3
Surface Area 493.19 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -2.38 ± eV
Point Group Symmetry C1
Synonyms
  • 25,26,27,28-tetrahydroxycalix[4]arene-5,11,17,23-tetrasulfonic acid
  • 4-sulfocalix[4]arene
  • calix[4]arene-4-sulfonic acid
  • pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonic acid, 25,26,27,28-tetrahydroxy-, stereoisomer (9ci)
  • pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonic acid, 25,26,27,28-tetrahydroxy-
CAS Number(s)
  • 189397-70-4
InChIKey JFYBCAFLVNKHHG-UHFFFAOYSA-N
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