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

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Properties Simple | Detailed

Formula C18H22NO8+
IUPAC Name n-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 380.369 g·mol−1
Heat of Formation -1319.1 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 428.31 Å 3
Surface Area 368.54 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methyl-2-oxo-7-chromenyl)oxy]-3-tetrahydropyranyl]acetamide
InChIKey QCTHLCFVVACBSA-SOVHRIKKSA-N
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