[(2R,3R,5S)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] (1S)-1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrole-3-Carboxylate
Properties
Property | Value |
---|---|
Formula | C19H29N6O11P2+ |
IUPAC Name | [(2r,3r,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (1s)-1-hydroxy-2,2,5,5-tetramethyl-pyrrole-3-carboxylate |
Molecular Mass | 579.415 g·mol−1 |
Heat of Formation | -2230.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.14 ± 1.08 D |
Volume | 617.99 Å 3 |
Surface Area | 487.76 Å 2 |
HOMO Energy | -8.83 ± 0.55 eV |
LUMO Energy | -1.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | OHEGOBAZKPGDJX-KANYHAFZSA-P |
QR Code | Generate QR Code |
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Elements | P C H O N |