[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C21H30N7O17P3 |
IUPAC Name | [[(2r,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 745.421 g·mol−1 |
Heat of Formation | -3585.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.98 ± 1.08 D |
Volume | 750.93 Å 3 |
Surface Area | 593.53 Å 2 |
HOMO Energy | -8.04 ± 0.55 eV |
LUMO Energy | -1.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | ONOVTRNLNDQWGA-NNYOXOHSSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |