[(2R,3S,4R,5R)-5-[(1S,2R,4R,5S,7R,8R,12S)-5-Amino-7-Methyl-2,6,9,11-Tetraza-7-Azoniatricyclo[6.3.1.04,12]Dodecan-2-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C13H28N6O7P+ |
| IUPAC Name | [(2r,3s,4r,5r)-5-[(1s,2r,4r,5s,7r,8r,12s)-5-amino-7-methyl-2,6,9,11-tetraza-7-azoniatricyclo[6.3.1.04,12]dodecan-2-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 411.371 g·mol−1 |
| Heat of Formation | -1128.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 410.01 Å 3 |
| Surface Area | 363.98 Å 2 |
| HOMO Energy | -8.04 ± 0.55 eV |
| LUMO Energy | -0.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JJADRRIVVFUDPA-JZUDVJCUSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |