[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3R,4R,5R,6S)-6-[(1R)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] Hydrogen Phosphate

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Formula C17H27N5O16P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 619.368 g·mol−1
Heat of Formation -3272.7 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 618.69 Å 3
Surface Area 509.53 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
InChIKey QANVIAQOILNJER-GZNZTODLSA-O
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