4-Amino-1-{6-[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]-6-Deoxy-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Allofuranosyl}-2(1H)-Pyrimidinone
Properties
| Property | Value |
|---|---|
| Formula | C18H26N6O15P2 |
| IUPAC Name | [(1z)-6-[(3-isocyanato-1-azoniacyclopropa-1,3-dien-2-yl)methylamino]-1-[5-[2-(isocyanatomethylamino)ethynylamino]-3,4-dioxo-tetrahydrofuran-2-ylidene]-4,5,6-trioxo-hex-2-ynyl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate |
| Molecular Mass | 628.378 g·mol−1 |
| Heat of Formation | -930.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.62 ± 1.08 D |
| Volume | 568.53 Å 3 |
| Surface Area | 407.15 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -3.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OZORAFDTIRRQFA-LUZZQSLSSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |