[(2R,3S,5R)-5-(4-Amino-2-Oxo-Blahcyclohexa-2,3,4,5-Tetraen-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C18H26N9O13P2
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-blahcyclohexa-2,3,4,5-tetraen-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 638.399 g·mol−1
Heat of Formation -2529.4 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 647.22 Å 3
Surface Area 495.48 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey VGEOKBZFTDJUMJ-WGWHJZDNSA-Q
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