20-[[9-[(2S,4S,5S)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8H-Purin-9-Ium-8-Ylium-6-Yl]Amino]-12-Methoxy-Blah-27-One

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Properties Simple | Detailed

Formula C27H22N6O7
IUPAC Name 20-[[9-[(2s,4s,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8h-purin-9-ium-8-ylium-6-yl]amino]-12-methoxy-blah-27-one
Molecular Mass 542.500 g·mol−1
Heat of Formation -552.8 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 569.03 Å 3
Surface Area 472.61 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey QTSKWXSYPIBRQF-JQFCIGGWSA-O
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