5'-O-{[{[Difluoro(Phosphono)Methyl](Hydroxy)Phosphoryl}(Difluoro)Methyl](Hydroxy)Phosphoryl}Thymidine
Properties
Property | Value |
---|---|
Formula | C12H17F4N2O12P3 |
IUPAC Name | [[[difluoro-[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid |
Molecular Mass | 550.184 g·mol−1 |
Heat of Formation | -3743.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.90 ± 1.08 D |
Volume | 510.7 Å 3 |
Surface Area | 424.35 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -0.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | HHJYLFURQLSDJT-XLPZGREQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N P |