3-(α-D-Galactopyranosyloxy)-N-[2-(4-Morpholinyl)Ethyl]-5-Nitrobenzamide

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Formula C19H27N3O10
IUPAC Name n-(2-morpholinoethyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
Molecular Mass 457.432 g·mol−1
Heat of Formation -1358.9 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 511.09 Å 3
Surface Area 435.9 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside
  • bmsc-0011
  • n-(2-morpholin-4-ylethyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide
  • n-(2-morpholinoethyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
  • n-(2-morpholinoethyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzamide
  • n-(2-morpholinoethyl)-3-nitro-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzamide
InChIKey WUPHPSHNWMGIKP-RDHIYWLCSA-N
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