7-Bromo-3-(β-D-Galactopyranosyloxy)-N-(2-Methoxyphenyl)-2-Naphthamide

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Properties Simple | Detailed

Formula C24H24BrNO8
IUPAC Name 7-bromo-n-(2-methoxyphenyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxamide
Molecular Mass 534.353 g·mol−1
Heat of Formation -1138.8 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 543.57 Å 3
Surface Area 464.7 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-naphthalenecarboxamide, 7-bromo-3-(beta-d-galactopyranosyloxy)-n-(2-methoxyphenyl)-
  • 7-bromo-n-(2-methoxyphenyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-naphthalene-2-carboxamide
  • 7-bromo-n-(2-methoxyphenyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-naphthalene-2-carboxamide
  • 7-bromo-n-(2-methoxyphenyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-naphthamide
  • 7-bromo-n-(2-methoxyphenyl)-3-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-naphthalenecarboxamide
  • naphthol as-bi beta-galactopyranoside
CAS Number(s)
  • 51349-63-4
InChIKey SISGBWZDEMMSLV-KQWJERSKSA-N
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Elements H C Br O N