[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4S,5R,6R)-3-Fluoro-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate
Properties
Property | Value |
---|---|
Formula | C15H23FN2O16P2 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate |
Molecular Mass | 568.293 g·mol−1 |
Heat of Formation | -3682.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.08 ± 1.08 D |
Volume | 550.65 Å 3 |
Surface Area | 409.3 Å 2 |
HOMO Energy | -9.88 ± 0.55 eV |
LUMO Energy | 1.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | NGTCPFGWXMBZEP-UXTZZOSASA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N P |