[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [5-(3-Carbamoyl-3,4-Dihydro-2H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C21H31N7O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(1s,3r)-3-carbamoyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 667.457 g·mol−1
Heat of Formation -2820.8 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 693.09 Å 3
Surface Area 566.86 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey FDIVXUDDFSHSAE-MTKBYBFRSA-N
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