2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1-[2-[3-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Imino-2-Oxo-Pyrimidin-1-Yl]Ethyl]Purine-3,7-Diium-6-One

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Formula C21H28N8O8
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[2-[3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-imino-2-oxo-pyrimidin-1-yl]ethyl]purine-3,7-diium-6-one
Molecular Mass 520.496 g·mol−1
Heat of Formation -1115.4 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 572.33 Å 3
Surface Area 426.62 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey MPQWAXWVMINDNV-CZHXVZFASA-R
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