5'-O-{(1R)-3-Cyano-1-[(2S,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Propyl}Thymidine 3'-(Dihydrogen Phosphate)
Properties
| Property | Value |
|---|---|
| Formula | C23H30N5O12P |
| IUPAC Name | [(2r,3s,5r)-2-[[(1s)-3-cyano-1-[(2s,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]propoxy]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] dihydrogen phosphate |
| Molecular Mass | 599.484 g·mol−1 |
| Heat of Formation | -2342.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.51 ± 1.08 D |
| Volume | 658.46 Å 3 |
| Surface Area | 487.56 Å 2 |
| HOMO Energy | -9.59 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WSXHDZTZPLYYCD-XABDGBQESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |