(5Z)-7-[(1R,2R,3R,4S)-3-({[4-Hydroxy-3-(~125~I)Iodophenyl]Sulfonyl}Amino)Bicyclo[2.2.1]Hept-2-Yl]-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H26INO5S
IUPAC Name (z)-7-[(1r,2r,3r,4s)-3-[(4-hydroxy-3-iodo-phenyl)sulfonylamino]norbornan-2-yl]hept-5-enoic acid
Molecular Mass 519.394 g·mol−1
Heat of Formation -754.8 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 514.06 Å 3
Surface Area 430.12 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 7-(3-iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
  • i-s-145-oh
CAS Number(s)
  • 130940-73-7
InChIKey RILIUTBHQHCVMM-AULLTFLWSA-N
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