[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-5-[(21R,26R,36S,43S)-16,17-Dimethyl-27,31,32-Trioxo-21-Phenyl-38,39,43,44-Tetrazatetracyclo[Blah.Blah.Blah.Blah.Blah]Heptadeca-8(16),9(17),19-Trien-43-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C36H43N9O16P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[(21r,26r,36s,43s)-16,17-dimethyl-27,31,32-trioxo-21-phenyl-38,39,43,44-tetrazatetracyclo[blah.blah.blah.blah.blah]heptadeca-8(16),9(17),19-trien-43-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate |
| Molecular Mass | 919.725 g·mol−1 |
| Heat of Formation | -3071.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.57 ± 1.08 D |
| Volume | 971.83 Å 3 |
| Surface Area | 754.02 Å 2 |
| HOMO Energy | -8.34 ± 0.55 eV |
| LUMO Energy | -1.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XNTDYZRXTOHERJ-ITRBMUPBSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |