[(2R,3S,4R,5R)-4-Acetamido-3,5-Dihydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Formula C17H26N6O14P2
IUPAC Name [[(2r,3s,4r,5r)-4-acetamido-3,5-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 600.368 g·mol−1
Heat of Formation -2985.8 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 601.63 Å 3
Surface Area 441.74 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey YKUBGMLROVEQHG-YUGVQSHHSA-N
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