N-{3-[4-(3-Aminopropyl)-1-Piperazinyl]Propyl}-3-(α-D-Galactopyranosyloxy)-5-Nitrobenzamide

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Properties Simple | Detailed

Formula C23H37N5O9
IUPAC Name n-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
Molecular Mass 527.568 g·mol−1
Heat of Formation -1202.1 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 618.41 Å 3
Surface Area 531.13 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane
  • 15b
  • bv2
  • j15
  • n-[3-[4-(3-aminopropyl)-1-piperazinyl]propyl]-3-nitro-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzamide
  • n-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide
  • n-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
  • n-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzamide
  • n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide
  • n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
InChIKey UEIGEWJJVQHIAX-MKQKURRLSA-N
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