(2R)-2-[[9-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Butanedioic Acid

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Properties Simple | Detailed

Formula C14H18N5O11P
IUPAC Name (2r)-2-[[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid
Molecular Mass 463.293 g·mol−1
Heat of Formation -2106.7 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 467.0 Å 3
Surface Area 389.54 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey LFGKDYDHJAGJMG-BLXDLRLXSA-O
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