(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,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]-3-phosphono-propanoic acid
Molecular Mass 499.264 g·mol−1
Heat of Formation -2490.6 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 488.74 Å 3
Surface Area 403.13 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey FGKAJDFZKDATMR-DHVQZWLTSA-N
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