N-{3-[4-(3-Aminopropyl)-1-Piperazinyl]Propyl}-3-(β-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-[(2s,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 -1211.4 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 614.31 Å 3
Surface Area 482.23 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[4-(3-aminopropyl)-1-piperazinyl]propyl]-3-nitro-5-[[(2s,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-[(2s,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-[(2s,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-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzamide
InChIKey UEIGEWJJVQHIAX-DLBZZEGUSA-N
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