2-Amino-7-[(2R)-2-Hydroxypropyl]-3H-Purine-1,9-Diium-5-Id-6-One

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Properties Simple | Detailed

Formula C8H12N5O2
IUPAC Name 2-amino-7-[(2r)-2-hydroxypropyl]-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 210.213 g·mol−1
Heat of Formation -143.4 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 235.79 Å 3
Surface Area 224.62 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey CHVKNXYINFIHLO-FVQVJORTSA-O
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