[[(2R)-2-[(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Methoxy]-3-Hydroxy-Propoxy]-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C9H17N5O13P3
IUPAC Name [[(2r)-2-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methoxy]-3-hydroxy-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 496.178 g·mol−1
Heat of Formation -3103.2 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 458.23 Å 3
Surface Area 336.68 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey HGQJBJCHRPJQOM-RXMQYKEDSA-P
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