N-{(2S)-6-[(2,3-Dihydroxybenzoyl)Amino]-1-Hydroxy-2-Hexanyl}-2,3-Dihydroxybenzamide

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Properties Simple | Detailed

Formula C20H24N2O7
IUPAC Name n-[(5s)-5-[(2,3-dihydroxybenzoyl)amino]-6-hydroxy-hexyl]-2,3-dihydroxy-benzamide
Molecular Mass 404.414 g·mol−1
Heat of Formation -1113.0 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 487.36 Å 3
Surface Area 368.59 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-5-[(2,3-dihydroxybenzoyl)amino]-1-(hydroxymethyl)pentyl]-2,3-dihydroxy-benzamide
  • n-[(1s)-5-[(2,3-dihydroxybenzoyl)amino]-1-methylol-pentyl]-2,3-dihydroxy-benzamide
  • n-[(1s)-5-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-(hydroxymethyl)pentyl]-2,3-dihydroxybenzamide
  • n-[(2s)-6-[(2,3-dihydroxybenzoyl)amino]-1-hydroxyhexan-2-yl]-2,3-dihydroxybenzamide
  • n-[(2s)-6-[(2,3-dihydroxyphenyl)carbonylamino]-1-hydroxy-hexan-2-yl]-2,3-dihydroxy-benzamide
InChIKey WNBVGSNESTZACV-LBPRGKRZSA-N
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