Cytonyc Acid B

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Properties Simple | Detailed

Formula C32H36O10
IUPAC Name 4-[4-(2,4-dihydroxy-6-propyl-benzoyl)oxy-2-hydroxy-6-propyl-benzoyl]oxy-2-hydroxy-6-pentyl-benzoic acid
Molecular Mass 580.622 g·mol−1
Heat of Formation -1775.3 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 703.72 Å 3
Surface Area 569.93 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amyl-4-[4-(2,4-dihydroxy-6-propyl-benzoyl)oxy-2-hydroxy-6-propyl-benzoyl]oxy-6-hydroxy-benzoic acid
  • 4-[4-(2,4-dihydroxy-6-propyl-phenyl)carbonyloxy-2-hydroxy-6-propyl-phenyl]carbonyloxy-2-hydroxy-6-pentyl-benzoic acid
  • 4-[4-(2,4-dihydroxy-6-propylbenzoyl)oxy-2-hydroxy-6-propylbenzoyl]oxy-2-hydroxy-6-pentylbenzoic acid
  • 4-[[4-[(2,4-dihydroxy-6-propylphenyl)-oxomethoxy]-2-hydroxy-6-propylphenyl]-oxomethoxy]-2-hydroxy-6-pentylbenzoic acid
  • benzoic acid, 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
  • cytonic acid b
InChIKey NUJLMXRQKUYQKE-UHFFFAOYSA-N
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