2-Amino-9-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H13N5O4
IUPAC Name 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 267.241 g·mol−1
Heat of Formation -431.1 ± 16.7 kJ·mol−1
Dipole Moment 12.85 ± 1.08 D
Volume 287.62 Å 3
Surface Area 265.79 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey YKBGVTZYEHREMT-JKUQZMGJSA-N
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