[[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[(4S)-3-Carbamoyl-4-(3H-Pyridin-1-Ium-3-Ide-4-Carbonyl)-4H-Pyridin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C27H33N8O18P3 |
IUPAC Name | [[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(4s)-3-carbamoyl-4-(3h-pyridin-1-ium-3-ide-4-carbonyl)-4h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 850.515 g·mol−1 |
Heat of Formation | -3594.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.16 ± 1.08 D |
Volume | 874.2 Å 3 |
Surface Area | 681.55 Å 2 |
HOMO Energy | -8.69 ± 0.55 eV |
LUMO Energy | -1.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | DOALFFXQNWJLRU-BGARNJTLSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |