[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(7R,9S,11R,13S,15R,43S)-17-Carbamoyl-9,11-Dihydroxy-43-Oxo-37,38,40-Trioxa-24-Aza-43Λ5-Phosphatricyclo[Blah.Blah.Blah.Blah]Pentadeca-2(16),3(17)-Dien-43-Yl] Hydrogen Phosphate

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Formula C21H27N7O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(7r,9s,11r,13s,15r,43s)-17-carbamoyl-9,11-dihydroxy-43-oxo-37,38,40-trioxa-24-aza-43λ5-phosphatricyclo[blah.blah.blah.blah]pentadeca-2(16),3(17)-dien-43-yl] hydrogen phosphate
Molecular Mass 663.425 g·mol−1
Heat of Formation -2747.6 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 662.84 Å 3
Surface Area 534.04 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey YPUOALVBXSGUMT-KMXXXSRASA-P
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