[2-Amino-3-[3-[4-[3-[[3-Nitro-5-[(2R,3R,4R,5S,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoyl]Amino]Propyl]Piperazin-1-Yl]Propylcarbamoyloxy]Propyl] N-[3-[4-[3-[[3-Nitro-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoyl]Amino]Propyl]Piperazin-1-Yl]Propyl]Carbamate

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Formula C51H79N11O22
IUPAC Name [2-amino-3-[3-[4-[3-[[3-nitro-5-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]amino]propyl]piperazin-1-yl]propylcarbamoyloxy]propyl] n-[3-[4-[3-[[3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]amino]propyl]piperazin-1-yl]propyl]carbamate
Molecular Mass 1198.234 g·mol−1
Heat of Formation -3139.3 ± 16.7 kJ·mol−1
Dipole Moment 10.85 ± 1.08 D
Volume 1377.05 Å 3
Surface Area 1110.78 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey UKDRLKXAUWZVRR-HCXAFDEDSA-N
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