[5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl 3,4-Dihydroxy-5-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]-6-Methyltetrahydro-2H-Pyr An-2-Yl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C24H36N7O19P3
IUPAC Name [[5-(2-amino-6-oxo-1h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3,4-dihydroxy-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 819.499 g·mol−1
Heat of Formation -877.9 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 701.1 Å 3
Surface Area 577.72 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -3.63 ± eV
Point Group Symmetry C1
InChIKey BNJJFFPICXKOFM-UHFFFAOYSA-N
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