(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

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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 -2453.5 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 501.45 Å 3
Surface Area 431.16 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey VGQJISQEJNHGFP-MACXSXHHSA-O
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