[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-3,6-Diid-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(10R,12S,14R,16S,18R,43S)-20-Carbamoyl-12,14-Dihydroxy-43-Oxo-37,38,40-Trioxa-27-Aza-43Λ5-Phosphatricyclo[Blah.Blah.Blah.Blah]Pentadeca-4(19),5(20)-Dien-43-Yl] Hydrogen Phosphate

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Formula C21H29N7O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-3,6-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(10r,12s,14r,16s,18r,43s)-20-carbamoyl-12,14-dihydroxy-43-oxo-37,38,40-trioxa-27-aza-43λ5-phosphatricyclo[blah.blah.blah.blah]pentadeca-4(19),5(20)-dien-43-yl] hydrogen phosphate
Molecular Mass 665.441 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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