(7R)-2-Amino-9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-[(R)-Hydroxy(Phosphonato)Methyl]Tetrahydrofuran-2-Yl]-7-Methyl-8H-Purin-3-Ium-1-Id-6-One

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Properties Simple | Detailed

Formula C11H16N5O8P--
IUPAC Name 2-amino-9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-[(r)-hydroxy(phosphonato)methyl]tetrahydrofuran-2-yl]-7-methyl-3,8-dihydropurin-6-one
Molecular Mass 377.247 g·mol−1
Heat of Formation -1394.3 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 382.96 Å 3
Surface Area 325.7 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey FARQFYMXRBUYPU-WPZGLXJQSA-L
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