3-Nitro-N-[3-[4-[3-[[2-[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]Propylamino]-3,4-Dioxo-Cyclobuten-1-Yl]Amino]Propyl]Piperazin-1-Yl]Propyl]-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C50H72N10O20 |
| IUPAC Name | 3-nitro-n-[3-[4-[3-[[2-[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]propylamino]-3,4-dioxo-cyclobuten-1-yl]amino]propyl]piperazin-1-yl]propyl]-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide |
| Molecular Mass | 1133.162 g·mol−1 |
| Heat of Formation | -2447.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.17 ± 1.08 D |
| Volume | 1329.04 Å 3 |
| Surface Area | 975.39 Å 2 |
| HOMO Energy | -7.83 ± 0.55 eV |
| LUMO Energy | -1.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WWGXKLSKKKQRMN-IRMXONEKSA-N |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |