2-Amino-9-{[(2S)-2,3-Dihydroxypropoxy]Methyl}-3,9-Dihydro-6H-Purin-6-One

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Formula C9H14N5O4
IUPAC Name 2-amino-9-[[(2s)-2,3-dihydroxypropoxy]methyl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 256.239 g·mol−1
Heat of Formation -439.7 ± 16.7 kJ·mol−1
Dipole Moment 14.15 ± 1.08 D
Volume 279.83 Å 3
Surface Area 253.07 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey YMJRISBBXAOKCD-RXMQYKEDSA-P
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