2-Amino-9-[(6R,7R,8R,9R,10R,11R,12R,13R,44R,45S)-12-(6-Aminopurine-1,3,7-Triium-9-Yl)-8,9,44,45-Tetrahydroxy-44,45-Dioxo-38,39,40,41,42,43-Hexaoxa-44Λ5,45Λ5-Diphosphatricyclo[Blah.Blah.Blah.Blah]Octadecan-13-Yl]-1H-Purine-3,7-Diium-6-One

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Formula C20H24N10O13P2
IUPAC Name 2-amino-9-[(6r,7r,8r,9r,10r,11r,12r,13r,44r,45s)-12-(6-aminopurine-1,3,7-triium-9-yl)-8,9,44,45-tetrahydroxy-44,45-dioxo-38,39,40,41,42,43-hexaoxa-44λ5,45λ5-diphosphatricyclo[blah.blah.blah.blah]octadecan-13-yl]-1h-purine-3,7-diium-6-one
Molecular Mass 674.411 g·mol−1
Heat of Formation -2400.2 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 656.0 Å 3
Surface Area 443.83 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey ZZUUPQGFJXPJHE-INFSMZHSSA-Q
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