2-Amino-8-(2,3,4-Trihydroxybutyl)-1,9-Dihydro-6H-Purin-6-One

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Formula C9H14N5O4
IUPAC Name 2-amino-8-[(2r,3s)-2,3,4-trihydroxybutyl]-3,7-dihydropurine-1,9-diium-5-id-6-one
Molecular Mass 256.239 g·mol−1
Heat of Formation -522.0 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 275.88 Å 3
Surface Area 262.45 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey LACJNFVQUVDCCC-IUYQGCFVSA-N
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