2-Amino-1,3-Propanediyl Bis[(2-{[2-({3-[4-(3-{[3-(β-D-Glucopyranosyloxy)-5-Nitrobenzoyl]Amino}Propyl)-1-Piperazinyl]Propyl}Amino)-3,4-Dioxo-1-Cyclobuten-1-Yl]Amino}Ethyl)Carbamate]

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Formula C63H93N15O26
IUPAC Name [(2r)-2-amino-3-[2-[[2-[3-[4-[3-[[3-nitro-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]amino]propyl]piperazin-1-yl]propylamino]-3,4-dioxo-cyclobutyl]amino]ethylcarbamoyloxy]propyl] n-[2-[[2-[3-[4-[3-[[3-nitro-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]amino]propyl]piperazin-1-yl]propylamino]-3,4-dioxo-cyclobuten-1-yl]amino]ethyl]carbamate
Molecular Mass 1476.497 g·mol−1
Heat of Formation -3245.7 ± 16.7 kJ·mol−1
Dipole Moment 13.34 ± 1.08 D
Volume 1717.11 Å 3
Surface Area 1261.56 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey HQTVCYHBYUXJDJ-MXYUBMAISA-N
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