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

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Properties Simple | Detailed

Formula C26H36N7O15P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-[(1s)-1-methyl-2-oxo-butyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 748.549 g·mol−1
Heat of Formation -2821.9 ± 16.7 kJ·mol−1
Dipole Moment 20.58 ± 1.08 D
Volume 783.07 Å 3
Surface Area 629.2 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -2.99 ± eV
Point Group Symmetry C1
InChIKey BZJFKYRGSZWSLT-YLIVDTKOSA-N
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