(2S,3R)-2-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]-Methyl-Carbamoyl]Amino]-3-Hydroxy-Butanoic Acid

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Formula C16H23N6O11P
IUPAC Name (2s,3r)-2-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]-methyl-carbamoyl]amino]-3-hydroxy-butanoic acid
Molecular Mass 506.361 g·mol−1
Heat of Formation -2078.6 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 524.63 Å 3
Surface Area 440.36 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey VZGGCEHGPTZUHE-KQSSXJRRSA-O
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