[5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [[5-(3-Carbamoyl-4-Oxo-3H-Pyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C21H29N7O18P3+ |
IUPAC Name | [5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [[5-(3-carbamoyl-4-oxo-3h-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 760.412 g·mol−1 |
Heat of Formation | -1112.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.22 ± 1.08 D |
Volume | 654.94 Å 3 |
Surface Area | 576.94 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | -2.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | PIXSDSMVQQICPA-BYJCYCELSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |