[[(2R,3S,4S)-5-[(4As)-4A-[(1S)-3-Imino-1-Phenyl-Butyl]-7,8-Dimethyl-2,4-Dioxo-5H-Benzo[G]Pteridin-1-Ium-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C37H48N10O15P2 |
| IUPAC Name | [[(2r,3s,4s)-5-[(4as)-4a-[(1s)-3-imino-1-phenyl-butyl]-7,8-dimethyl-2,4-dioxo-5h-benzo[g]pteridin-1-ium-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 934.783 g·mol−1 |
| Heat of Formation | -2835.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.25 ± 1.08 D |
| Volume | 1013.91 Å 3 |
| Surface Area | 752.79 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -1.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NKHJOMNFTRSYRV-MUDFCMHFSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |