[(2S,3S,5R)-3-[(2S)-3-[[(2R,3R,4R,5R)-3-Hydroxy-4-Methoxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methylamino]-2-Methyl-3-Oxo-Propyl]-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C25H40N5O13P++++ |
| IUPAC Name | [(2s,3s,5r)-3-[(2s)-3-[[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-1h-pyrimidine-1,3-diium-1-yl)tetrahydrofuran-2-yl]methylamino]-2-methyl-3-oxo-propyl]-5-(5-methyl-2,4-dioxo-1h-pyrimidine-1,3-diium-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 649.585 g·mol−1 |
| Heat of Formation | -2699.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.21 ± 1.08 D |
| Volume | 736.22 Å 3 |
| Surface Area | 519.89 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | -0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ATFPAUAOEANBDJ-QCSMCPAWSA-N |
| QR Code | Generate QR Code |
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| Elements | P C H O N |