(24R,25S,26S,27R,28R,69S)-69-[(2R)-2-[(1R)-1-(6-Aminopurin-9-Ium-9-Yl)-2-Oxo-Ethoxy]-3-Oxo-Propoxy]-49-[(1S)-2-(Azepan-1-Yl)-2-Oxo-1-Phenyl-Ethyl]-26,27-Dihydroxy-68-Oxido-68,69-Dioxo-Blahe-30-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C40H48N12O15P2S |
| IUPAC Name | (24r,25s,26s,27r,28r,69s)-69-[(2r)-2-[(1r)-1-(6-aminopurin-9-ium-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-49-[(1s)-2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]-26,27-dihydroxy-68-oxido-68,69-dioxo-blahe-30-carboxamide |
| Molecular Mass | 1030.893 g·mol−1 |
| Heat of Formation | -2188.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.40 ± 1.08 D |
| Volume | 1077.76 Å 3 |
| Surface Area | 762.85 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -1.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MBEXYSVVZJDECZ-JOWSDNDOSA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |