[[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H30N6O15P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 668.442 g·mol−1
Heat of Formation -2998.9 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 668.98 Å 3
Surface Area 430.66 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey WZSSWTZBXTUWHE-NNYOXOHSSA-P
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