[[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-4-Id-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Imidazo[2,1-F]Purine-1,4-Diium-9A-Id-3-Yl)Tetrahydrofuran-2-Yl]Methyl Phosphate

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Properties Simple | Detailed

Formula C23H31N7O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-4-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purine-1,4-diium-9a-id-3-yl)tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 691.478 g·mol−1
Heat of Formation -2337.1 ± 16.7 kJ·mol−1
Dipole Moment 25.32 ± 1.08 D
Volume 668.67 Å 3
Surface Area 499.27 Å 2
HOMO Energy -7.57 ± 0.55 eV
LUMO Energy -2.58 ± eV
Point Group Symmetry C1
InChIKey RYBHYKSDGXLDHP-RNLBQFCCSA-Q
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