9-{5-O-[({[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methoxy](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]-D-Ribofuranosyl}-9H-Purin-6-Amine

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Formula C18H23N6O12P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (4-formyl-5-hydroxy-6-methyl-pyridin-1-ium-3-id-3-yl)methyl hydrogen phosphate
Molecular Mass 577.356 g·mol−1
Heat of Formation -2407.1 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 577.33 Å 3
Surface Area 426.69 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey RUIFPEPERZGNCR-XKLVTHTNSA-N
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