Melacacidin

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Properties Simple | Detailed

Formula C15H14O7
IUPAC Name (2r,3r,4r)-2-(3,4-dihydroxyphenyl)chromane-3,4,7,8-tetrol
Molecular Mass 306.267 g·mol−1
Heat of Formation -1051.5 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 326.69 Å 3
Surface Area 291.84 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-2-(3,4-dihydroxyphenyl)chroman-3,4,7,8-tetrol
  • 2h-1-benzopyran-3,4,7,8-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2r-(2alpha,3alpha,4alpha))-
  • 3,3',4,4',7,8-hexahydroxyflavan
CAS Number(s)
  • 38081-16-2
  • 38412-73-6
  • 38602-96-9
  • 489-56-5
InChIKey JEUXGAUBSWADEA-MRVWCRGKSA-N
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