2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-[(E)-(1-Hydroxy-3H-Quinolin-1-Ium-3-Id-4-Ylidene)Amino]-8H-Purin-3-Ium-1-Id-6-One

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Properties Simple | Detailed

Formula C19H21N7O6
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[(e)-(1-hydroxy-4-quinolylidene)amino]-3,8-dihydropurin-6-one
Molecular Mass 443.413 g·mol−1
Heat of Formation -386.0 ± 16.7 kJ·mol−1
Dipole Moment 8.98 ± 1.08 D
Volume 478.71 Å 3
Surface Area 395.31 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey HMMTWBPDGQTABW-HCLKXLGCSA-N
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