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

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Properties Simple | Detailed

Formula C20H29N3O10
IUPAC Name n-(3-morpholinopropyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
Molecular Mass 471.458 g·mol−1
Heat of Formation -1386.2 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 527.78 Å 3
Surface Area 450.27 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside
  • bmsc-0010
  • n-(3-morpholin-4-ylpropyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide
  • n-(3-morpholin-4-ylpropyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
  • n-(3-morpholinopropyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
  • n-(3-morpholinopropyl)-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzamide
  • n-(3-morpholinopropyl)-3-nitro-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzamide
InChIKey CBPMHEKCQNCVNT-QTVCLEQKSA-N
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