[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 3-(4-Azido-2-Nitro-Phenyl)Propanoate
Properties
Property | Value |
---|---|
Formula | C19H23N9O16P3 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 3-(4-azido-2-nitro-phenyl)propanoate |
Molecular Mass | 726.358 g·mol−1 |
Heat of Formation | -2838.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.25 ± 1.08 D |
Volume | 712.3 Å 3 |
Surface Area | 547.39 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | -1.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | AWDVINRFAJOZGZ-BGIGGGFGSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |