[[(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

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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 -2388.0 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 578.28 Å 3
Surface Area 398.48 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey YJLFGIBBNRMPCF-XKLVTHTNSA-O
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