[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(4-Formyl-5-Hydroxy-6-Methyl-Pyridin-1-Ium-3-Id-3-Yl)Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C18H23N6O15P3 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(4-formyl-5-hydroxy-6-methyl-pyridin-1-ium-3-id-3-yl)methoxy-hydroxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 656.328 g·mol−1 |
Heat of Formation | -3310.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.87 ± 1.08 D |
Volume | 630.26 Å 3 |
Surface Area | 425.59 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -1.91 ± eV |
Point Group Symmetry | C1 |
InChIKey | LMQVFWVIVXDETH-XKLVTHTNSA-O |
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Elements | P C H O N |