5'-O-(Hydroxy{[(2S)-2-Pyrrolidinylcarbonyl]Oxy}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C15H21N6O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-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 -1517.8 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 462.63 Å 3
Surface Area 356.11 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey KQFKHTAASHMYDJ-TWBCTODHSA-N
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