[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-Pyrrolidine-2-Carboxylate

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Formula C15H21N6O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-pyrrolidine-2-carboxylate
Molecular Mass 444.336 g·mol−1
Heat of Formation -1509.3 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 458.85 Å 3
Surface Area 381.04 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey YCJULUUXMNZVPN-TWBCTODHSA-O
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