4-Methyl-2-Oxo-2H-Chromen-7-Yl 2-Acetamido-2-Deoxy-3-O-β-D-Galactopyranosyl-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C24H31NO13
IUPAC Name n-[(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-[(e)-1-[(e)-2-hydroxyvinyl]prop-1-enoxy]-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide hydrate
Molecular Mass 541.502 g·mol−1
Heat of Formation -2218.8 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 598.78 Å 3
Surface Area 486.92 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-((2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-beta-d-galactopyranosyl)oxy)-4-methyl-
  • 4-methylumbelliferyl-2-acetamido-2-deoxy-3-o-(beta-d-galactopyranosyl)beta-d-galactopyranoside
  • 4-methylumbelliferyl-galactosyl(1-3)-n-acetylgalactosaminide
  • 4-mugaga
  • n-[(2s,3r,4r,5r,6r)-5-hydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-6-methylol-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-[(4-methyl-2-oxo-7-chromenyl)oxy]-4-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 82358-93-8
InChIKey VSWQTQWBDDXHMJ-AYWUTESRSA-N
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