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

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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 618.35 Å 3
Surface Area 530.9 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
InChIKey VWYMUNMHUWPNNW-MKQKURRLSA-N
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