(2R)-2-[(9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Phosphonooxy)Methyl]Tetrahydro-2-Furanyl}-9H-Purin-6-Yl)Amino]-3-Phosphonopropanoic Acid

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Formula C13H19N5O12P2
IUPAC Name (2r)-2-[[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-9-ium-6-yl]amino]-3-phosphono-propanoic acid
Molecular Mass 499.264 g·mol−1
Heat of Formation -2469.4 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 498.64 Å 3
Surface Area 435.38 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey FGKAJDFZKDATMR-SOBUCJTESA-N
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