[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H26N10O13P2 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
Molecular Mass | 676.427 g·mol−1 |
Heat of Formation | -2426.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.87 ± 1.08 D |
Volume | 678.28 Å 3 |
Surface Area | 487.86 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -1.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | BQZGUGZYMDDIGS-SNESVTBZSA-P |
QR Code | Generate QR Code |
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Elements | P C H O N |