[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2R,3S,4S)-5-[(3R)-6,7-Dimethyl-2,2',5'-Trioxo-Spiro[4H-Quinoxaline-3,4'-Imidazolidine]-1-Yl]-2,3,4-Trihydroxy-Pentyl] Phosphate

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Formula C27H33N9O16P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4s)-5-[(3r)-6,7-dimethyl-2,2',5'-trioxospiro[4h-quinoxaline-3,4'-imidazolidine]-1-yl]-2,3,4-trihydroxypentyl] hydrogen phosphate
Molecular Mass 809.613 g·mol−1
Heat of Formation -3099.8 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 835.77 Å 3
Surface Area 677.24 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey HUPQKJNMCVRMPP-QUWWARRSSA-N
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