Cytonyc Acid A

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Properties Simple | Detailed

Formula C32H36O10
IUPAC Name 4-[4-(2,4-dihydroxy-6-pentyl-benzoyl)oxy-2-hydroxy-6-propyl-benzoyl]oxy-2-hydroxy-6-propyl-benzoic acid
Molecular Mass 580.622 g·mol−1
Heat of Formation -1778.9 ± 16.7 kJ·mol−1
Dipole Moment 9.33 ± 1.08 D
Volume 703.02 Å 3
Surface Area 557.26 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(2,4-dihydroxy-6-pentyl-phenyl)carbonyloxy-2-hydroxy-6-propyl-phenyl]carbonyloxy-2-hydroxy-6-propyl-benzoic acid
  • 4-[4-(2-amyl-4,6-dihydroxy-benzoyl)oxy-2-hydroxy-6-propyl-benzoyl]oxy-2-hydroxy-6-propyl-benzoic acid
  • 4-[[4-[(2,4-dihydroxy-6-pentylphenyl)-oxomethoxy]-2-hydroxy-6-propylphenyl]-oxomethoxy]-2-hydroxy-6-propylbenzoic acid
  • benzoic acid, 4-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-propyl-, 4-carboxy-3-hydroxy-5-propylphenyl ester
  • cytonic acid a
InChIKey SQZYUOYBTIOEEA-UHFFFAOYSA-N
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