(2R)-2-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-[(1R)-1-Formyl-2-[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Ethoxy]Acetic Acid

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Properties Simple | Detailed

Formula C10H15N5O14P3
IUPAC Name (2r)-2-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-[(1r)-1-formyl-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]ethoxy]acetic acid
Molecular Mass 522.172 g·mol−1
Heat of Formation -3064.7 ± 16.7 kJ·mol−1
Dipole Moment 13.86 ± 1.08 D
Volume 491.24 Å 3
Surface Area 361.04 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey WMLKPASAGZMAEB-SPGJFGJESA-P
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