4-Methyl-2-Oxo-2H-Chromen-7-Yl 2-Acetamido-4-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H34N2O13
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 582.554 g·mol−1
Heat of Formation -2226.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 660.78 Å 3
Surface Area 532.52 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-((2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-beta-d-glucopyranosyl)oxy)-4-methyl-
  • 4-methylumbelliferyl-n,n'-diacetyl-beta-chitobiose
  • 4-methylumbelliferyl-n,n-diacetylchitobioside
  • 4-mudacb
  • me-dinag
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxo-chromen-7-yl)oxy-oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-6-(2-keto-4-methyl-chromen-7-yl)oxy-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-7-chromenyl)oxy]-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 53643-12-2
InChIKey UPSFMJHZUCSEHU-JYGUBCOQSA-N
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