Isorawsonol

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Properties Simple | Detailed

Formula C28H22Br4O7
IUPAC Name 3-bromo-4-[[5-bromo-2-[(3-bromo-4-hydroxy-phenyl)methyl]-3,4-dihydroxy-phenyl]methyl]-6-[(3-bromo-4-hydroxy-phenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
Molecular Mass 790.086 g·mol−1
Heat of Formation -919.5 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 661.57 Å 3
Surface Area 503.7 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bromo-4-[5-bromo-2-(3-bromo-4-hydroxy-benzyl)-3,4-dihydroxy-benzyl]-6-(3-bromo-4-hydroxy-benzyl)-5-methylol-pyrocatechol
  • 3-bromo-4-[[5-bromo-2-[(3-bromo-4-hydroxyphenyl)methyl]-3,4-dihydroxyphenyl]methyl]-6-[(3-bromo-4-hydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
InChIKey KNBYXCNYWVPELL-UHFFFAOYSA-N
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Elements H C O Br