[(2R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-[[(2R,3S,4R,5R)-4-Hydroxy-5-(2-Oxopyrimidin-3-Ium-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-2,5-Dihydrofuran-3-Yl] Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H23N7O14P2+ |
IUPAC Name | [(2r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-[[(2r,3s,4r,5r)-4-hydroxy-5-(2-oxopyrimidin-3-ium-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-2,5-dihydrofuran-3-yl] dihydrogen phosphate |
Molecular Mass | 635.372 g·mol−1 |
Heat of Formation | -2621.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.13 ± 1.08 D |
Volume | 630.07 Å 3 |
Surface Area | 476.82 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -0.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | UYORRYZWZIRTNC-HUUWVHBYSA-P |
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Elements | P C H O N |