6-Amino-1-Cyclopropyl-9-Pentofuranosyl-1,9-Dihydro-2H-Purin-2-One

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Formula C13H18N5O5
IUPAC Name 6-amino-1-cyclopropyl-9-[(2s,3s,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-3,7-diium-6-id-2-one
Molecular Mass 324.313 g·mol−1
Heat of Formation -567.0 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 351.34 Å 3
Surface Area 308.06 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey WHBIVTCTMMRQMU-CCQAIOMUSA-N
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